SCHEMBL3581664

SCHEMBL3581664

COC(=O)c1scc(C)c1O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
PKM P14618 1/20 0.50
ATM Q13315 1/20 0.50
POLB P06746 2/20 0.49
CYP3A4 P08684 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 1/20 0.47
HTR1A P08908 1/20 0.46
SCN1A P35498 1/20 0.46
SCN2A Q99250 1/20 0.46
SCN3A Q9NY46 1/20 0.46
KDM4E B2RXH2 4/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 4/20 0.43
HPGD P15428 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL167302 0.82 MAPT (0.51) MAPTPKMATMPOLBCYP3A4
SCHEMBL9442593 0.82 KDM4E (0.45) MAPTPKMATMPOLBCYP3A4
SCHEMBL1760863 0.80 MAPT (0.43) MAPTPKMATMPOLBCYP3A4
SCHEMBL7914722 0.78 MAPT (0.49) MAPTPKMATMPOLBCYP3A4
SCHEMBL163725 0.78 KDM4E (0.57) MAPTPKMATMPOLBCYP3A4
SCHEMBL17834830 0.78 MAPT (0.53) MAPTPKMATMPOLBCYP3A4
SCHEMBL2987502 0.78 MAPT (0.49) MAPTPKMATMPOLBCYP3A4
SCHEMBL397136 0.78 MAPT (0.49) MAPTPKMATMPOLBCYP3A4
SCHEMBL13592553 0.78 KDM4E (0.41) MAPTPKMATMPOLBCYP3A4
SCHEMBL7697418 0.78 MAPT (0.49) MAPTPKMATMPOLBCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US disclosed
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US disclosed
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US disclosed
US-7521473-B2 Inhibitors of protein tyrosine phosphatase 1B WYETH (US) 2009-04-21 US disclosed
US-7521473-B2 Inhibitors of protein tyrosine phosphatase 1B WYETH (US) 2009-04-21 US disclosed
US-7521473-B2 Inhibitors of protein tyrosine phosphatase 1B WYETH (US) 2009-04-21 US disclosed
EP-1962605-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2008-09-03 EP disclosed
WO-2007070433-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-21 WO disclosed
WO-2007070433-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-21 WO disclosed
US-20050203087-A1 Inhibitors of protein tyrosine phosphatase 1B WYETH 2005-09-15 US disclosed
WO-2005081954-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B WYETH (US) 2005-09-09 WO disclosed
EP-0361961-B1 Organic componds and their use as pharmaceuticals LILLY SA (ES) 1994-02-02 EP disclosed
US-5041461-A Organic compounds and their use as pharmaceuticals LILLY INDUSTRIES LIMITED (GB) 1991-08-20 US disclosed
EP-0361961-A1 Organic componds and their use as pharmaceuticals LILLY S.A. (ES) 1990-04-04 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 (2 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-20050203087-A1 Inhibitors of protein tyrosine phosphatase 1B PTPRO, PTPRS, PTPRM MAPT 3976/4885PKM 2489/4885ATM 1081/4885
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CXCR2 MAPT 4292/4885PKM 2966/4885ATM 3884/4885

“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.