SCHEMBL668472

SCHEMBL668472

NC1(c2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
TP53 P04637 1/20 0.52
SRD5A2 P31213 5/20 0.52
ALDH1A1 P00352 2/20 0.45
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA12 O43570 1/20 0.44
CA3 P07451 1/20 0.44
TYR P14679 1/20 0.44
DRD1 P21728 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
RXRA P19793 2/20 0.44
RARB P10826 1/20 0.43
RARG P13631 1/20 0.43

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
Hydrochloric Acid SCHEMBL4089589 0.98 SRD5A2 (0.50) TSHRTP53SRD5A2ALDH1A1CA1
SCHEMBL17315717 0.92 SRD5A2 (0.48) TSHRTP53SRD5A2AKT1AKT2
SCHEMBL5297495 0.83 PARP10 (0.45) TSHRALDH1A1CA1CA2AKT1
SCHEMBL20768462 0.82 TSHR (0.46) TSHRTP53SRD5A2ALDH1A1CA1
SCHEMBL19330839 0.80 POLB (0.41) TSHRTP53SRD5A2ALDH1A1CA1
SCHEMBL17503456 0.77 RXRA (0.64) TSHRTP53SRD5A2ALDH1A1CA1
SCHEMBL12064958 0.76 UNG (0.47) ALDH1A1CA1CA2CA12CA6
SCHEMBL871865 0.76 CA1 (0.52) TSHRALDH1A1CA1CA2CA12
SCHEMBL17869355 0.76 TSHR (0.55) TSHRTP53SRD5A2ALDH1A1CA1
SCHEMBL15956227 0.74 TP53 (0.52) TSHRTP53SRD5A2ALDH1A1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4126821-B1 PROCESS FOR THE PREPARATION OF (R)-4-(1-(6-(4-(TRIFLUOROMETHYL)BENZYL)-6-AZASPIRO[2.5]OCTANE-5-CARBOXAMIDO)-CYCLOPROPYL) BENZOIC ACID OR A SALT THEREOF Rottapharm Biotech Srl (IT) 2024-05-15 EP claimed
EP-3820842-B1 (R)-4-(1-(1-(4-(TRIFLUOROMETHYL)BENZYL)PYRROLIDINE-2-CARBOXAMIDE)CYCLOPROPYL)-BENZOIC ACID AS EP4 RECEPTOR ANTAGONIST Rottapharm Biotech Srl (IT) 2023-03-29 EP claimed
US-20230399339-A1 HETEROCYCLIC AMIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF SHENZHEN ZHONGGE BIOLOGICAL TECHNOLOGY CO., LTD. (CN) 2023-12-14 US disclosed
EP-4286390-A1 HETEROCYCLIC AMIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Shenzhen Zhongge Biological Technology Co., Ltd. (CN) 2023-12-06 EP disclosed
CN-107216312-B Compound with mutant IDH inhibitory activity, preparation method and application thereof 上海海和药物研究开发股份有限公司 2023-08-01 CN disclosed
WO-2022161423-A1 CYCLIC AMINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 深圳晶泰科技有限公司 2022-08-04 WO disclosed
US-20210139497-A1 THIENOCYCLIC COMPOUND AND SYNTHESIS METHOD THEREFOR AND APPLICATION THEREOF Shanghai Yuyao Biotech Ltd. (CN) 2021-05-13 US disclosed
WO-2020221816-A1 NOVEL PHENYL AND PYRIDYL UREAS ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AICURIS GMBH & CO. KG (DE) 2020-11-05 WO disclosed
WO-2020221826-A1 NOVEL INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AICURIS GMBH & CO. KG (DE) 2020-11-05 WO disclosed
EP-2619182-B1 PHARMACEUTICAL COMPOSITION EISAI R&D MAN CO LTD (JP) 2016-11-09 EP disclosed
EP-2619182-B1 PHARMACEUTICAL COMPOSITION EISAI R&D MAN CO LTD (JP) 2016-11-09 EP disclosed
US-20120213729-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-08-23 US disclosed
WO-2012103071-A2 COMPOUNDS AND COMPOSITIONS EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-02 WO disclosed
WO-2012039972-A1 PHARMACEUTICAL COMPOSITION EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-03-29 WO disclosed
WO-2012039972-A1 PHARMACEUTICAL COMPOSITION EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-03-29 WO disclosed
WO-2012024373-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-23 WO disclosed
US-20100204487-A1 PROCESS FOR MAKING THIOPHENE CARBOXAMIDE DERIVATIVES DAVIES IAN 2010-08-12 US disclosed
US-20090247596-A1 THIOPHENECARBOXAMIDE DERIVATIVES AS EP4 RECEPTOR LIGANDS MERCK CANADA INC. (CA) 2009-10-01 US disclosed
US-20090247596-A1 THIOPHENECARBOXAMIDE DERIVATIVES AS EP4 RECEPTOR LIGANDS MERCK CANADA INC. (CA) 2009-10-01 US disclosed
WO-2008017164-A1 THIOPHENECARBOXAMIDE DERIVATIVES AS EP4 RECEPTOR LIGANDS MERCK FROSST CANADA LTD. (CA) 2008-02-14 WO 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 (5 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-20100204487-A1 PROCESS FOR MAKING THIOPHENE CARBOXAMIDE DERIVATIVES PTGER4, P2RY4, PTGES2 TSHR 961/4885TP53 4822/4885SRD5A2 2595/4885
US-20230399339-A1 HETEROCYCLIC AMIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF PTGER4, PTGER1, EPB41 TSHR 4216/4885TP53 4251/4885SRD5A2 521/4885
US-20090247596-A1 THIOPHENECARBOXAMIDE DERIVATIVES AS EP4 RECEPTOR LIGANDS PTGER4, PTGER1, PTGER2 TSHR 171/4885TP53 1702/4885SRD5A2 1029/4885
US-20120213729-A1 Compounds for the Treatment of Hepatitis C HAVCR2, SLC10A1, HCCS TSHR 3799/4885TP53 532/4885SRD5A2 955/4885
US-20210139497-A1 THIENOCYCLIC COMPOUND AND SYNTHESIS METHOD THEREFOR AND APPLICATION THEREOF PTGER4, PTGER1, PTGES TSHR 558/4885TP53 1685/4885SRD5A2 574/4885

“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.