SCHEMBL6289729

SCHEMBL6289729

COc1ccc(-c2nc(CCOS(C)(=O)=O)c(C)o2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
LMNA P02545 2/20 0.53
PPARA Q07869 8/20 0.52
PPARG P37231 7/20 0.52
TARBP2 Q15633 1/20 0.51
PDCD4 Q53EL6 1/20 0.51
HSD17B10 Q99714 2/20 0.51
POLB P06746 2/20 0.51
ALDH1A1 P00352 2/20 0.51
TP53 P04637 1/20 0.51
HPGD P15428 1/20 0.51
MAPK1 P28482 1/20 0.51
KDM4E B2RXH2 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPT P10636 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL6293717 0.88 PPARG (0.50) MEN1KMT2ALMNAPPARAPPARG
SCHEMBL3578702 0.86 PPARG (0.55) MEN1KMT2APPARAPPARGTARBP2
SCHEMBL6601904 0.86 HSD17B10 (0.53) LMNAPPARAPPARGTARBP2HSD17B10
SCHEMBL6293798 0.86 PPARA (0.53) MEN1KMT2APPARAPPARG
SCHEMBL12617388 0.86 ALDH1A1 (0.58) MEN1KMT2APPARAPPARGPOLB
SCHEMBL821405 0.86 PPARG (0.59) PPARAPPARGHPGDKDM4E
SCHEMBL3584058 0.85 PPARG (0.45) LMNAPPARAPPARGHSD17B10POLB
SCHEMBL13807058 0.85 PPARG (0.48) MEN1KMT2APPARAPPARG
SCHEMBL6293066 0.84 KDM4E (0.52) MEN1KMT2APPARAPPARGHSD17B10
SCHEMBL3991636 0.84 PPARG (0.53) MEN1KMT2APPARAPPARGTARBP2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951793-B2 Substituted heterocyclic derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-31 US disclosed
US-7579479-B2 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-25 US disclosed
US-7579479-B2 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-25 US disclosed
US-20070287713-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD BRISTOL-MYERS SQUIBB COMPANY 2007-12-13 US disclosed
US-20070287713-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD BRISTOL-MYERS SQUIBB COMPANY 2007-12-13 US disclosed
US-7241780-B2 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method BRISTOLS-MYERS SQUIBB COMPANY (US) 2007-07-10 US disclosed
US-7241780-B2 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method BRISTOLS-MYERS SQUIBB COMPANY (US) 2007-07-10 US disclosed
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method CHENG PETER T 2007-01-18 US disclosed
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method CHENG PETER T 2007-01-18 US disclosed
US-6872732-B2 Heterocyclic derivatives and medicinal use thereof KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2005-03-29 US disclosed
US-20040180924-A1 Novel heterocyclic derivatives and medicinal use thereof KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2004-09-16 US disclosed
EP-1398313-A1 NOVEL HETEROCYCLIC DERIVATIVES AND MEDICINAL USE THEREOF Kyoto Pharmaceutical Industries, Ltd. (JP) 2004-03-17 EP 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 (3 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-20070287713-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD PYM1, GPR119, GLP1R MEN1 2840/4885KMT2A 1610/4885LMNA 161/4885
US-20040180924-A1 Novel heterocyclic derivatives and medicinal use thereof GPR119, INSR, GLP1R MEN1 4772/4885KMT2A 3887/4885LMNA 3586/4885
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method GPR119, LIPC, ACACA MEN1 2369/4885KMT2A 700/4885LMNA 320/4885

“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.