SCHEMBL9967748

SCHEMBL9967748

CC(C)C(=O)OCC1CC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 4/20 0.38
SLC1A2 P43004 4/20 0.38
SLC1A1 P43005 4/20 0.38
LMNA P02545 1/20 0.38
PTGIR P43119 4/20 0.35
ACACB O00763 3/20 0.34
PSMB5 P28074 1/20 0.33
PTGDR Q13258 1/20 0.33
PARP15 Q460N3 1/20 0.32
PARP10 Q53GL7 1/20 0.32
PARP2 Q9UGN5 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30458093 0.92 SLC1A3 (0.34) SLC1A3SLC1A2SLC1A1LMNAPTGIR
SCHEMBL8027411 0.91 LMNA (0.48) SLC1A3SLC1A2SLC1A1LMNAPSMB5
SCHEMBL8023506 0.91 LMNA (0.44) SLC1A3SLC1A2SLC1A1LMNAPSMB5
SCHEMBL25840101 0.90 SLC1A3 (0.33) SLC1A3SLC1A2SLC1A1LMNAPTGIR
SCHEMBL2908890 0.89 LMNA (0.52) SLC1A3SLC1A2SLC1A1LMNAPSMB5
SCHEMBL21671173 0.89 LMNA (0.52) SLC1A3SLC1A2SLC1A1LMNAPSMB5
SCHEMBL21671190 0.89 LMNA (0.52) SLC1A3SLC1A2SLC1A1LMNAPSMB5
SCHEMBL24482507 0.88 ACACB (0.34) SLC1A3SLC1A2SLC1A1LMNAPTGIR
SCHEMBL16706080 0.88 GRM1 (0.33) SLC1A3SLC1A2SLC1A1LMNAPTGIR
SCHEMBL30457829 0.88 MAPT (0.38) SLC1A3SLC1A2SLC1A1LMNAPTGIR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230382940-A1 ANTIVIRAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME GILEAD SCIENCES, INC. 2023-11-30 US disclosed
US-11826375-B2 Phosphinic amide prodrugs of tenofovir MERCK SHARP & DOHME LLC (US) 2023-11-28 US disclosed
US-11731943-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-08-22 US disclosed
US-9796712-B2 Heteroaryl compounds for kinase inhibition ARIAD PHARMACEUTICALS, INC. (US) 2017-10-24 US disclosed
US-20170253594-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-09-07 US disclosed
US-20170197962-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMACEUTICALS, INC. 2017-07-13 US disclosed
US-20170166598-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMACEUTICALS, INC. 2017-06-15 US disclosed
US-20150315146-A1 USE OF SUBSTITUTED 1-(ARYL ETHYNYL)-, 1-(HETEROARYL ETHYNYL)-, 1-(HETEROCYCLYL ETHYNYL)- AND 1-(CYCLOALKENYLETHYNYL)-BICYCLOALKANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-11-05 US disclosed
US-20150315146-A1 USE OF SUBSTITUTED 1-(ARYL ETHYNYL)-, 1-(HETEROARYL ETHYNYL)-, 1-(HETEROCYCLYL ETHYNYL)- AND 1-(CYCLOALKENYLETHYNYL)-BICYCLOALKANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-11-05 US disclosed
US-20150305334-A1 USE OF SUBSTITUTED 1-(ARYL ETHYNYL)-, 1-(HETEROARYL ETHYNYL)-, 1-(HETEROCYCLYL ETHYNYL)- AND 1-(CYCLOALKENYL ETHYNYL)-CYCLOHEXANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-10-29 US disclosed
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones BAYER CROPSCIENCE AG (DE) 2012-06-21 US disclosed
US-20120040975-A1 BRIDGED BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. 2012-02-16 US disclosed
US-20120040975-A1 BRIDGED BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. 2012-02-16 US disclosed
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-07 US disclosed
US-20100113479-A1 PROCESS FOR THE PREPARATION OF TRI-SUBSTITUTED PYRIDINE AND TRI-SUBSTITUTED PYRIMIDINE DERIVATIVES USEFUL AS GDIR AGONISTS ARENA PHARMACEUTICALS, INC. 2010-05-06 US disclosed
US-20100113480-A1 PROCESS FOR THE PREPARATION OF TRI-SUBSTITUTED PYRIDINE AND TRI-SUBSTITUTED PYRIMIDINE DERIVATIVES USEFUL AS GDIR AGONISTS ARENA PHARMACEUTICALS, INC. 2010-05-06 US disclosed
US-7449447-B2 Peptidomimetic NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2008-11-11 US disclosed
US-20070167473-A1 Substituted pyridinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. 2007-07-19 US disclosed
US-20070078150-A1 Substituted pyrindinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2007-04-05 US disclosed
US-20070078150-A1 Substituted pyrindinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2007-04-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (15 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070078150-A1 Substituted pyrindinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto PC, GPR119, PNPO SLC1A3 1580/4885SLC1A2 1444/4885SLC1A1 1010/4885
US-20230382940-A1 ANTIVIRAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME EIF2AK2, MAVS, ZC3HAV1 SLC1A3 4329/4885SLC1A2 4657/4885SLC1A1 4379/4885
US-20170197962-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ERBB2, EGFR, ERBB3 SLC1A3 4423/4885SLC1A2 4371/4885SLC1A1 4240/4885
US-20150315146-A1 USE OF SUBSTITUTED 1-(ARYL ETHYNYL)-, 1-(HETEROARYL ETHYNYL)-, 1-(HETEROCYCLYL ETHYNYL)- AND 1-(CYCLOALKENYLETHYNYL)-BICYCLOALKANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS AAK1, SYMPK, CBR1 SLC1A3 3590/4885SLC1A2 2778/4885SLC1A1 2662/4885
US-20070167473-A1 Substituted pyridinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto PLPBP, PNPO, PDXK SLC1A3 1095/4885SLC1A2 985/4885SLC1A1 925/4885
US-11731943-B2 Therapeutic compounds, compositions and methods of use thereof JAK2, JAK1, JAK3 SLC1A3 3132/4885SLC1A2 2953/4885SLC1A1 2592/4885
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones DHPS, FDPS, DPYD SLC1A3 2800/4885SLC1A2 2444/4885SLC1A1 1897/4885
US-20150305334-A1 USE OF SUBSTITUTED 1-(ARYL ETHYNYL)-, 1-(HETEROARYL ETHYNYL)-, 1-(HETEROCYCLYL ETHYNYL)- AND 1-(CYCLOALKENYL ETHYNYL)-CYCLOHEXANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS CBR1, CAT, NAT1 SLC1A3 3330/4885SLC1A2 2740/4885SLC1A1 2569/4885
US-20100113479-A1 PROCESS FOR THE PREPARATION OF TRI-SUBSTITUTED PYRIDINE AND TRI-SUBSTITUTED PYRIMIDINE DERIVATIVES USEFUL AS GDIR AGONISTS GPR119, GCGR, GIPR SLC1A3 1839/4885SLC1A2 2095/4885SLC1A1 1851/4885
US-20100113480-A1 PROCESS FOR THE PREPARATION OF TRI-SUBSTITUTED PYRIDINE AND TRI-SUBSTITUTED PYRIMIDINE DERIVATIVES USEFUL AS GDIR AGONISTS GPR119, GCGR, GIPR SLC1A3 1839/4885SLC1A2 2095/4885SLC1A1 1851/4885
US-20170253594-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ERBB2, EGFR, ERBB3 SLC1A3 4423/4885SLC1A2 4371/4885SLC1A1 4240/4885
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO MC2R, REN, CYP11B2 SLC1A3 2872/4885SLC1A2 3113/4885SLC1A1 2664/4885
US-20120040975-A1 BRIDGED BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF GPR119, BDKRB2, GLP1R SLC1A3 2074/4885SLC1A2 1669/4885SLC1A1 2239/4885
US-20170166598-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ERBB2, EGFR, ERBB3 SLC1A3 4423/4885SLC1A2 4371/4885SLC1A1 4240/4885
US-11826375-B2 Phosphinic amide prodrugs of tenofovir TYMP, PPA1, PNP SLC1A3 1475/4885SLC1A2 1923/4885SLC1A1 1506/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.