SCHEMBL105246

SCHEMBL105246

CC(C)Cc1ccc(C(N)=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.61
ALOX5 P09917 2/20 0.54
PTGS1 P23219 4/20 0.53
PTGS2 P35354 4/20 0.53
CXCR1 P25024 3/20 0.53
CXCR2 P25025 3/20 0.53
LMNA P02545 2/20 0.53
CYP2C9 P11712 2/20 0.53
AKR1C3 P42330 2/20 0.53
ALB P02768 1/20 0.53
ESR1 P03372 1/20 0.53
RARB P10826 1/20 0.53
ADRB3 P13945 1/20 0.53
NFKB1 P19838 1/20 0.53
HTR2A P28223 1/20 0.53
NR1I3 Q14994 1/20 0.53
SLC22A6 Q4U2R8 1/20 0.53
CXCL8 P10145 1/20 0.53
TSHR P16473 1/20 0.53
AKR1C2 P52895 1/20 0.53

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
SCHEMBL13718987 0.94 EPHX1 (0.56) EPHX1ALOX5PTGS1PTGS2CXCR1
SCHEMBL254093 0.94 EPHX1 (0.56) EPHX1ALOX5PTGS1PTGS2CXCR1
SCHEMBL6764390 0.86 TAAR1 (0.59) PLA2G10PLA2G2A
SCHEMBL9392575 0.86 TAAR1 (0.59) PLA2G10PLA2G2A
SCHEMBL8745472 0.86 TAAR1 (0.59) PLA2G10PLA2G2A
SCHEMBL14236735 0.84 EPHX1 (0.49) EPHX1PLA2G10PLA2G2APARP10
SCHEMBL20821081 0.84 PLA2G10 (0.48) EPHX1PLA2G10PLA2G2APARP10
SCHEMBL1531205 0.83 PTGS1 (0.53) EPHX1ALOX5PTGS1PTGS2CXCR1
SCHEMBL21064585 0.83 PTGS1 (0.57) EPHX1ALOX5PTGS1PTGS2CXCR1
SCHEMBL5830194 0.82 PLA2G10 (0.47) EPHX1PLA2G10PLA2G2APARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023146987-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed
US-20230117680-A1 CYCLOPHILIN D INHIBITORS AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2023-04-20 US disclosed
US-11547712-B2 Kinase inhibitor compounds and compositions and methods of use ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2023-01-10 US disclosed
US-20220112242-A1 SOMATOSTATIN RECEPTOR ANTAGONIST COMPOUNDS AND METHODS OF USING THE SAME CDRD VENTURES INC. (CA) 2022-04-14 US disclosed
US-11279732-B2 Somatostatin receptor antagonist compounds and methods of using the same CDRD VENTURES INC. (CA) 2022-03-22 US disclosed
US-20210238225-A1 PEPTIDOMIMETIC INHIBITORS OF THE PEPTIDYL-PROLYL CIS/TRANS ISOMERASE (PIN1) DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-08-05 US disclosed
US-20200306257-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI 2020-10-01 US disclosed
US-20200276275-A1 Therapies for Obesity, Diabetes and Related Indications PALATIN TECHNOLOGIES INC (US) 2020-09-03 US disclosed
EP-3230276-B1 GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-09-02 EP disclosed
US-20200207809-A1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS, INC. 2020-07-02 US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-7229972-B2 Semisynthetic trimethylenedioxy-erythromycin derivatives and their use in treating bacterial infections and cystic fibrosis; preparation ENANTA PHARMACEUTICALS, INC. (US) 2007-06-12 US disclosed
WO-2007062308-A2 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO disclosed
US-20070082853-A1 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICAL, INC. 2007-04-12 US disclosed
US-7189704-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-03-13 US disclosed
US-7189704-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-03-13 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 (13 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-20070161685-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 EPHX1 1130/4885ALOX5 2439/4885PTGS1 2769/4885
US-20200276275-A1 Therapies for Obesity, Diabetes and Related Indications MC4R, GLP1R, MC3R EPHX1 2127/4885ALOX5 2183/4885PTGS1 1649/4885
US-20210238225-A1 PEPTIDOMIMETIC INHIBITORS OF THE PEPTIDYL-PROLYL CIS/TRANS ISOMERASE (PIN1) PIN1, PPIA, PPIE EPHX1 2269/4885ALOX5 4010/4885PTGS1 1245/4885
US-20200306257-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE MAP3K20, MAP3K1, PACSIN2 EPHX1 2276/4885ALOX5 2935/4885PTGS1 1836/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 EPHX1 1130/4885ALOX5 2439/4885PTGS1 2769/4885
US-11547712-B2 Kinase inhibitor compounds and compositions and methods of use MAP3K20, MAP3K1, PACSIN2 EPHX1 2276/4885ALOX5 2935/4885PTGS1 1836/4885
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 EPHX1 1130/4885ALOX5 2439/4885PTGS1 2769/4885
US-20200207809-A1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS PREP, CTRL, ENPEP EPHX1 49/4885ALOX5 865/4885PTGS1 189/4885
US-11279732-B2 Somatostatin receptor antagonist compounds and methods of using the same GPR119, SSTR5, SSTR2 EPHX1 4483/4885ALOX5 1343/4885PTGS1 2666/4885
US-20070082853-A1 6, 11-bridged tricyclic macrolides CYP2B6, CYP2D6, ABCB11 EPHX1 628/4885ALOX5 980/4885PTGS1 597/4885
US-20220112242-A1 SOMATOSTATIN RECEPTOR ANTAGONIST COMPOUNDS AND METHODS OF USING THE SAME GPR119, SSTR5, SSTR2 EPHX1 4454/4885ALOX5 1263/4885PTGS1 2711/4885
US-20230117680-A1 CYCLOPHILIN D INHIBITORS AND USES THEREOF PPID, PPIF, PPIL1 EPHX1 737/4885ALOX5 2384/4885PTGS1 185/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 EPHX1 1797/4885ALOX5 1281/4885PTGS1 436/4885

“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.