SCHEMBL1021589

SCHEMBL1021589

C=CCn1c(=O)[nH]c2cc(S(C)(=O)=O)ccc2c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.49
ALDH1A1 P00352 3/20 0.49
HSD17B10 Q99714 3/20 0.49
LMNA P02545 2/20 0.49
POLB P06746 2/20 0.49
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 2/20 0.49
HPGD P15428 2/20 0.49
RECQL P46063 1/20 0.49
GAA P10253 2/20 0.45
MAPT P10636 1/20 0.45
PKM P14618 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
FEN1 P39748 2/20 0.44
KMT2A Q03164 3/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
MEN1 O00255 2/20 0.40
PTGS2 P35354 5/20 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
SCHEMBL12892832 0.81 USP2 (0.60) USP2ALDH1A1HSD17B10LMNAPOLB
SCHEMBL1259209 0.80 ALDH1A1 (0.61) USP2ALDH1A1HSD17B10LMNAPOLB
SCHEMBL1261585 0.79 USP2 (0.58) USP2ALDH1A1HSD17B10LMNAPOLB
SCHEMBL1260643 0.78 KDM4E (0.51) USP2ALDH1A1HSD17B10LMNAPOLB
SCHEMBL1260912 0.75 CA12 (0.59) USP2ALDH1A1HSD17B10LMNAPOLB
SCHEMBL1260406 0.75 CYP1A2 (0.64) ALDH1A1HSD17B10POLBSMN1; SMN2KDM4E
SCHEMBL6392970 0.72 CYP1A2 (0.56) ALDH1A1HSD17B10HTTSMN1; SMN2KDM4E
SCHEMBL9252371 0.72 FEN1 (0.44) FEN1PTGS2PTGS1CMA1
SCHEMBL6391681 0.70 ALDH1A1 (0.53) ALDH1A1HSD17B10LMNAPOLBHTT
SCHEMBL25366779 0.69 PARG (0.64) PARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271345-B1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2015-05-20 EP disclosed
US-8461107-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2013-06-11 US disclosed
US-8461107-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2013-06-11 US disclosed
US-8461107-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2013-06-11 US disclosed
US-20110046161-A1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME LLC 2011-02-24 US disclosed
US-20110046161-A1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME LLC 2011-02-24 US disclosed
US-20110046161-A1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME LLC 2011-02-24 US disclosed
EP-2271345-A1 HCV NS3 PROTEASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2011-01-12 EP disclosed
WO-2009134624-A1 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2009-11-05 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 (1 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-20110046161-A1 HCV NS3 PROTEASE INHIBITORS HAVCR2, GTF3C3, CTSC USP2 519/4885ALDH1A1 1199/4885HSD17B10 506/4885

“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.