SCHEMBL829006

SCHEMBL829006

COC(=O)c1cc2c(Br)cc(C)cc2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 2/20 0.46
CSNK2B P67870 2/20 0.46
CSNK2A1 P68400 2/20 0.46
KDR P35968 1/20 0.46
ICAM1 P05362 1/20 0.45
SELE P16581 1/20 0.45
VCAM1 P19320 1/20 0.45
PTPN2 P17706 1/20 0.44
HPGD P15428 3/20 0.43
ALDH1A1 P00352 2/20 0.43
XDH P47989 1/20 0.42
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
KDM4E B2RXH2 3/20 0.39
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RPS6KB1 P23443 1/20 0.39

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
SCHEMBL828902 0.87 CSNK2A2 (0.48) CSNK2A2CSNK2BCSNK2A1KDRICAM1
SCHEMBL20906130 0.85 DAO (0.43) CSNK2A1ICAM1SELEVCAM1PTPN2
SCHEMBL20906131 0.85 PTPN2 (0.49) ICAM1SELEPTPN2HPGDALDH1A1
SCHEMBL18490302 0.84 OPRD1 (0.44) CSNK2A2CSNK2BCSNK2A1KDRICAM1
SCHEMBL31550045 0.79 PTPN2 (0.43) CSNK2A2CSNK2BCSNK2A1KDRICAM1
SCHEMBL828976 0.78 SLC9A1 (0.57) CSNK2A2CSNK2BCSNK2A1KDRICAM1
SCHEMBL29749445 0.78 SLC9A1 (0.57) CSNK2A2CSNK2BCSNK2A1KDRICAM1
SCHEMBL828418 0.78 ICAM1 (0.43) CSNK2A2CSNK2BCSNK2A1KDRICAM1
SCHEMBL29831616 0.77 ICAM1 (0.56) CSNK2A2CSNK2BCSNK2A1KDRICAM1
SCHEMBL5550652 0.77 ICAM1 (0.56) CSNK2A2CSNK2BCSNK2A1KDRICAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143307-B2 Benzothiophen-2-carbonylguanidine derivatives, preparation thereof, and pharmaceutical composition containing the same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-03-27 US disclosed
US-20100004466-A1 Benzothiophen-2-carbonylguanidine derivatives, preparation thereof, and pharmaceutical composition containing the same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-01-07 US disclosed
EP-1831192-A4 BENZOTHIOPHEN-2-CARBONYLGUANIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME KOREA RES INST CHEM TECH (KR) 2009-08-19 EP disclosed
EP-1831192-A1 BENZOTHIOPHEN-2-CARBONYLGUANIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Korea Research Institute of Chemical Technology (KR) 2007-09-12 EP disclosed
WO-2006071047-A1 BENZOTHIOPHEN-2-CARBONYLGUANIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-07-06 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-20100004466-A1 Benzothiophen-2-carbonylguanidine derivatives, preparation thereof, and pharmaceutical composition containing the same TNNI3, TNNT2, SLC9A2 CSNK2A2 1358/4885CSNK2B 1207/4885CSNK2A1 1316/4885

“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.