SCHEMBL8337665

SCHEMBL8337665

CCOC(=O)/C=C/c1ccc2sc(C)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 1/20 0.56
▸ DPP4 P27487 1/20 0.56
▸ CA12 O43570 1/20 0.52
▸ CA1 P00915 1/20 0.52
▸ CA2 P00918 1/20 0.52
▸ CA7 P43166 1/20 0.52
▸ CA9 Q16790 1/20 0.52
▸ CA14 Q9ULX7 1/20 0.52
▸ ESR1 P03372 2/20 0.52
▸ MAOB P27338 1/20 0.51
▸ P2RY12 Q9H244 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ FDPS P14324 1/20 0.49
▸ NPC1 O15118 4/20 0.49
▸ RAB9A P51151 4/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ HSD17B10 Q99714 1/20 0.46
▸ ALOX5 P09917 1/20 0.45
▸ CASP3 P42574 1/20 0.45
▸ SENP8 Q96LD8 1/20 0.45

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
SCHEMBL30634292 0.90 TTR (0.56) TTRDPP4CA12CA1CA2
SCHEMBL26634041 0.82 ESR1 (0.63) TTRDPP4CA12CA1CA2
SCHEMBL31428564 0.82 ESR1 (0.63) TTRDPP4CA12CA1CA2
SCHEMBL30634275 0.77 TTR (0.59) TTRDPP4CA12CA1CA2
SCHEMBL26791145 0.77 TTR (0.59) TTRDPP4CA12CA1CA2
SCHEMBL11217091 0.77 TTR (0.71) TTRDPP4CA12CA1CA2
SCHEMBL11217092 0.77 TTR (0.71) TTRDPP4CA12CA1CA2
SCHEMBL2056140 0.76 HSD17B10 (0.50) ESR1NPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL6953319 0.76 TTR (0.58) TTRDPP4CA12CA1CA2
SCHEMBL6953315 0.76 TTR (0.58) TTRDPP4CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250270187-A1 MOLECULAR EDITING OF MULTIPLE C-H BONDS LEVERAGING RECOGNITION OF DISTANCE, GEOMETRY AND CHIRALITY THE SCRIPPS RESEARCH INSTITUTE 2025-08-28 — — US disclosed
WO-2023212565-A2 MOLECULAR EDITING OF MULTIPLE C-H BONDS BY LEVERAGING RECOGNITION OF DISTANCE, GEOMETRY AND CHIRALITY THE SCRIPPS RESEARCH INSTITUTE (US) 2023-11-02 — — WO disclosed
WO-2023212565-A2 MOLECULAR EDITING OF MULTIPLE C-H BONDS BY LEVERAGING RECOGNITION OF DISTANCE, GEOMETRY AND CHIRALITY THE SCRIPPS RESEARCH INSTITUTE (US) 2023-11-02 — — WO disclosed
EP-3538519-B1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-07-28 — — EP disclosed
US-11028071-B2 Indazole derivatives as alpha v integrin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2021-06-08 — — US disclosed
US-20200339540-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2020-10-29 — — US disclosed
US-10745384-B2 Indazole derivatives as αv integrin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-18 — — US disclosed
US-20190256496-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2019-08-22 — — US disclosed
WO-2018089357-A1 INDAZOLE DERIVATIVES AS αV INTEGRIN ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 — — WO disclosed
US-7935827-B2 Optically active, heteroaromatic β-hydroxy esters and processes for their preparation from β-keto esters and processes for the preparation of these β-keto esters BAYER SCHERING PHARMA AG (DE) 2011-05-03 — — US disclosed
US-7935827-B2 Optically active, heteroaromatic β-hydroxy esters and processes for their preparation from β-keto esters and processes for the preparation of these β-keto esters BAYER SCHERING PHARMA AG (DE) 2011-05-03 — — US disclosed
US-20100248313-A1 NOVEL OPTICALLY ACTIVE, HETEROAROMATIC BETA-HYDROXY ESTERS AND PROCESSES FOR THEIR PREPARATION FROM BETA-KETO ESTERS AND PROCESSES FOR THE PREPARATION OF THESE BETA-KETO ESTERS BAYER SCHERING PHARMA AG (DE) 2010-09-30 — — US disclosed
US-20100248313-A1 NOVEL OPTICALLY ACTIVE, HETEROAROMATIC BETA-HYDROXY ESTERS AND PROCESSES FOR THEIR PREPARATION FROM BETA-KETO ESTERS AND PROCESSES FOR THE PREPARATION OF THESE BETA-KETO ESTERS BAYER SCHERING PHARMA AG (DE) 2010-09-30 — — US disclosed
US-7626035-B2 Ethyl 2-(benzothiazol-2-yl),2-oxo-acetate; useful in the synthesis of epothilonederivatives; antitumor,-carcinogenic agents; high chemical purity, optical purity,in very good yields and allows an industrial-scale production BAYER SCHERING PHARMA AG (DE) 2009-12-01 — — US disclosed
US-7626035-B2 Ethyl 2-(benzothiazol-2-yl),2-oxo-acetate; useful in the synthesis of epothilonederivatives; antitumor,-carcinogenic agents; high chemical purity, optical purity,in very good yields and allows an industrial-scale production BAYER SCHERING PHARMA AG (DE) 2009-12-01 — — US disclosed
WO-2004058254-A1 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS PHARMACIA CORPORATION (US) 2004-07-15 — — 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 (6 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-20200339540-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS ITGAV, ITGB1, ITGB3 TTR 531/4885DPP4 2947/4885CA12 4227/4885
US-20190256496-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS ITGAV, ITGB1, ITGB3 TTR 531/4885DPP4 2947/4885CA12 4227/4885
US-20100248313-A1 NOVEL OPTICALLY ACTIVE, HETEROAROMATIC BETA-HYDROXY ESTERS AND PROCESSES FOR THEIR PREPARATION FROM BETA-KETO ESTERS AND PROCESSES FOR THE PREPARATION OF THESE BETA-KETO ESTERS CYP8B1, HSD17B7, CYP51A1 TTR 2772/4885DPP4 2727/4885CA12 4083/4885
US-10745384-B2 Indazole derivatives as αv integrin antagonists ITGB3, ITGB1, ITGAV TTR 661/4885DPP4 2679/4885CA12 3696/4885
US-20250270187-A1 MOLECULAR EDITING OF MULTIPLE C-H BONDS LEVERAGING RECOGNITION OF DISTANCE, GEOMETRY AND CHIRALITY CYCS, CYC1, CDA TTR 824/4885DPP4 1615/4885CA12 3560/4885
US-11028071-B2 Indazole derivatives as alpha v integrin antagonists ITGAV, ITGB1, ITGB3 TTR 531/4885DPP4 2947/4885CA12 4227/4885

“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.

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