SCHEMBL658679

SCHEMBL658679

O=C1CC(c2ccc(F)cc2)CC(=O)O1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP1LC3B Q9GZQ8 1/20 0.49
CTRB1 P17538 1/20 0.46
PLAU P00749 2/20 0.44
ALPL P05186 1/20 0.43
TP53 P04637 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
MAOB P27338 4/20 0.40
ATM Q13315 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL10017608 0.89 CTRB1 (0.53) MAP1LC3BCTRB1PLAUALDH1A1
SCHEMBL10017611 0.83 CTRB1 (0.49) MAP1LC3BCTRB1PLAUTDP1ALDH1A1
SCHEMBL426339 0.80 MAP1LC3B (0.53) MAP1LC3BALPLL3MBTL1TDP1MAOB
SCHEMBL5233147 0.80 MAP1LC3B (0.42) MAP1LC3BALPLL3MBTL1TDP1MAOB
SCHEMBL657720 0.79 BRD4 (0.49) MAP1LC3BCTRB1PLAUSIRT2MAOB
SCHEMBL2471171 0.79 MAP1LC3B (0.50) MAP1LC3BCTRB1PLAUSIRT2ALDH1A1
SCHEMBL13829416 0.79 MAPT (0.61) MAP1LC3BCTRB1PLAUTP53TDP1
SCHEMBL31121817 0.79 CTRB1 (0.54) MAP1LC3BCTRB1PLAUSIRT2ALDH1A1
SCHEMBL6357916 0.79 CTRB1 (0.39) MAP1LC3BCTRB1PLAUTP53SIRT2
SCHEMBL657724 0.79 POLB (0.53) MAP1LC3BCTRB1PLAUTP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025076088-A1 LACTAMS FOR USE AS SARM1 INHIBITORS GENENTECH, INC. (US) 2025-04-10 WO disclosed
EP-2349999-B1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIV SAARLAND (DE) 2016-01-27 EP disclosed
US-8912186-B2 Allosteric protein kinase modulators UNIVERSITAET DES SAARLANDES (DE) 2014-12-16 US disclosed
US-8580964-B2 Cinchona-based bifucntional organocatalysts and method for preparing chiral hemiesters using the same SUNGKYUNKWAN UNIVERSITY FOUNDATION FOR CORPORATE COLLABORATION (KR) 2013-11-12 US disclosed
US-8580964-B2 Cinchona-based bifucntional organocatalysts and method for preparing chiral hemiesters using the same SUNGKYUNKWAN UNIVERSITY FOUNDATION FOR CORPORATE COLLABORATION (KR) 2013-11-12 US disclosed
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2012-02-23 US disclosed
EP-1411052-B1 BENZO-FUSED 5-MEMBERED HETROCYCLE COMPOUNDS,PROCESS FOR PREPARATION OF THE SAME, AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2011-10-05 EP disclosed
US-20110213151-A1 CINCHONA-BASED BIFUNCTIONAL ORGANOCATALYSTS AND METHOD FOR PREPARING CHIRAL HEMIESTERS USING THE SAME SUNGKYUNKWAN UNIVERSITY FOUNDATION FOR CORPORATE COLLABORATION (KR) 2011-09-01 US disclosed
US-20110213151-A1 CINCHONA-BASED BIFUNCTIONAL ORGANOCATALYSTS AND METHOD FOR PREPARING CHIRAL HEMIESTERS USING THE SAME SUNGKYUNKWAN UNIVERSITY FOUNDATION FOR CORPORATE COLLABORATION (KR) 2011-09-01 US disclosed
EP-2349999-A1 ALLOSTERIC PROTEIN KINASE MODULATORS Universität des Saarlandes (DE) 2011-08-03 EP disclosed
US-20040167171-A1 Benzo-fused 5-membered hetrocycle compounds, process for preparation of the same, and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-08-26 US disclosed
US-20040092497-A1 Heteroarylakanoic acids as intergrin receptor antagonists PHARMACIA CORPORATION 2004-05-13 US disclosed
EP-1411052-A1 BENZO-FUSED 5-MEMBERED HETROCYCLE COMPOUNDS,PROCESS FOR PREPARATION OF THE SAME, AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-04-21 EP disclosed
US-6649613-B1 Integrin inhibitors MERCK PATENT GMBH (DE) 2003-11-18 US disclosed
EP-1194401-B1 DIACYLHYDRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2003-09-10 EP disclosed
EP-1289983-A2 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS Pharmacia Corporation (US) 2003-03-12 EP disclosed
US-20020133023-A1 Heteroarylalkanoic acids as integrin receptor antagonists PHARMACIA CORPORATION 2002-09-19 US disclosed
EP-1194401-A1 DIACYLHYDRAZINE DERIVATIVES MERCK PATENT GmbH (DE) 2002-04-10 EP disclosed
WO-2001096334-A2 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS PHARMACIA CORPORATION (US) 2001-12-20 WO disclosed
WO-2001005753-A1 DIACYLHYDRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2001-01-25 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-20020133023-A1 Heteroarylalkanoic acids as integrin receptor antagonists ITGA5, ITGA2B, ITGAV MAP1LC3B 3071/4885CTRB1 2641/4885PLAU 1513/4885
US-20110213151-A1 CINCHONA-BASED BIFUNCTIONAL ORGANOCATALYSTS AND METHOD FOR PREPARING CHIRAL HEMIESTERS USING THE SAME CPN1, COASY, CA9 MAP1LC3B 3472/4885CTRB1 773/4885PLAU 1445/4885
US-20040092497-A1 Heteroarylakanoic acids as intergrin receptor antagonists ITGA5, ITGB7, ITGA2B MAP1LC3B 3553/4885CTRB1 3928/4885PLAU 1551/4885
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS AURKC, AURKA, AURKB MAP1LC3B 1654/4885CTRB1 4111/4885PLAU 3794/4885
US-20040167171-A1 Benzo-fused 5-membered hetrocycle compounds, process for preparation of the same, and use thereof CYP8B1, PARK7, OXER1 MAP1LC3B 3121/4885CTRB1 623/4885PLAU 4220/4885

“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.