SCHEMBL1698562

SCHEMBL1698562

CC(C)(C)N1CCCCS1(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PER2 O15055 4/20 0.35
CRY1 Q16526 4/20 0.35
CRY2 Q49AN0 4/20 0.35
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA6 P23280 1/20 0.30
OPRK1 P41145 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL123232 0.93 PER2 (0.39) PER2CRY1CRY2
SCHEMBL15097199 0.82 HTT (0.30)
SCHEMBL123369 0.71
SCHEMBL19106732 0.71 PER2 (0.39) PER2CRY1CRY2
SCHEMBL15379756 0.71 PER2 (0.35) PER2CRY1CRY2
SCHEMBL19152427 0.71 PER2 (0.41) PER2CRY1CRY2
SCHEMBL14459654 0.71 PER2 (0.38) PER2CRY1CRY2
SCHEMBL15379786 0.71 PER2 (0.38) PER2CRY1CRY2
SCHEMBL23546286 0.70 PER2 (0.38) PER2CRY1CRY2
SCHEMBL15379457 0.70 PER2 (0.35) PER2CRY1CRY2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357242-A1 COMPOUND AS AKT KINASE INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-11-09 US disclosed
US-20230357242-A1 COMPOUND AS AKT KINASE INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-11-09 US disclosed
US-20230295166-A1 ATR INHIBITORS AND USES THEREOF ANTENGENE DISCOVERY LIMITED (CN) 2023-09-21 US disclosed
US-20230295166-A1 ATR INHIBITORS AND USES THEREOF ANTENGENE DISCOVERY LIMITED (CN) 2023-09-21 US disclosed
US-20230250095-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF TUOJIE BIOTECH(SHANGHAI) CO., LTD. (CN) 2023-08-10 US disclosed
US-20230250095-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF TUOJIE BIOTECH(SHANGHAI) CO., LTD. (CN) 2023-08-10 US disclosed
US-20180028660-A1 DRUG COMBINATIONS COMPRISING A DGAT INHIBITOR AND A PPAR-AGONIST JANSSEN PHARMACEUTICA NV (BE) 2018-02-01 US disclosed
US-20180028660-A1 DRUG COMBINATIONS COMPRISING A DGAT INHIBITOR AND A PPAR-AGONIST JANSSEN PHARMACEUTICA NV (BE) 2018-02-01 US disclosed
US-9724418-B2 Drug combinations comprising a DGAT inhibitor and a PPAR-agonist JANSSEN PHARMACEUTICA NV (BE) 2017-08-08 US disclosed
US-9724418-B2 Drug combinations comprising a DGAT inhibitor and a PPAR-agonist JANSSEN PHARMACEUTICA NV (BE) 2017-08-08 US disclosed
US-7767697-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-03 US disclosed
US-7763608-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-07-27 US disclosed
US-20100113488-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2010-05-06 US disclosed
US-7511063-B2 High affinity quinoline-based kinase ligands SCHERING CORPORATION (US) 2009-03-31 US disclosed
US-20090030045-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-01-29 US disclosed
US-20080045568-A1 Novel high affinity quinoline-based kinase ligands SCHERING CORPORATION 2008-02-21 US disclosed
US-20070286842-A1 Organic Compounds and Their Uses NOVARTIS AG (CH) 2007-12-13 US disclosed
US-20070259924-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2007-11-08 US disclosed
US-20070213356-A1 Nitrogen-Containing Heterocyclyl Substituted Imidazoquinolines and Imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY 2007-09-13 US disclosed
US-20070004708-A1 Condensed n-heterocyclic compounds and their use as crf receptor antagonists NEUROCRINE BIOSCIENCES, INC. 2007-01-04 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 (11 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-20090030045-A1 FACTOR XA INHIBITORS TFPI, F12, F11 PER2 4255/4885CRY1 4676/4885CRY2 4773/4885
US-20230250095-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF P2RX7, P2RX3, P2RX5 PER2 3769/4885CRY1 3973/4885CRY2 4735/4885
US-20070213356-A1 Nitrogen-Containing Heterocyclyl Substituted Imidazoquinolines and Imidazonaphthyridines IL2, IFNG, IRF3 PER2 2905/4885CRY1 2569/4885CRY2 3113/4885
US-20070286842-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 PER2 3144/4885CRY1 2999/4885CRY2 2197/4885
US-20180028660-A1 DRUG COMBINATIONS COMPRISING A DGAT INHIBITOR AND A PPAR-AGONIST PPARG, PPARA, DGAT1 PER2 2222/4885CRY1 4362/4885CRY2 4752/4885
US-20230295166-A1 ATR INHIBITORS AND USES THEREOF ATR, CHEK1, CHEK2 PER2 3959/4885CRY1 4286/4885CRY2 3798/4885
US-20080045568-A1 Novel high affinity quinoline-based kinase ligands CDKL2, CDK2, CDKL1 PER2 690/4885CRY1 2352/4885CRY2 1268/4885
US-20230357242-A1 COMPOUND AS AKT KINASE INHIBITOR AKT2, MTOR, AKT1 PER2 3601/4885CRY1 4194/4885CRY2 4789/4885
US-20100113488-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F5 PER2 2961/4885CRY1 2250/4885CRY2 2494/4885
US-20070259924-A1 FACTOR XA INHIBITORS TFPI, F12, F11 PER2 4255/4885CRY1 4676/4885CRY2 4773/4885
US-20070004708-A1 Condensed n-heterocyclic compounds and their use as crf receptor antagonists CRHR2, NR3C2, CRHR1 PER2 613/4885CRY1 649/4885CRY2 754/4885

“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.