SCHEMBL2342920

SCHEMBL2342920

Cc1ccc([S+]([O-])c2c(C(=O)N3CCCC3)[nH]c3ccc(F)cc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
PTGS2 P35354 2/20 0.44
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
GFER P55789 1/20 0.41
CNR1 P21554 2/20 0.39
BAZ2B Q9UIF8 1/20 0.39
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38

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
SCHEMBL24196942 0.79 PTGS2 (0.59) ALDH1A1HPGDPTGS2NPC1RAB9A
SCHEMBL2345144 0.77 MAPT (0.52) ALDH1A1HPGDPTGS2NPC1RAB9A
SCHEMBL30270452 0.74 ALDH1A1 (0.52) ALDH1A1HPGDPTGS2NPC1RAB9A
SCHEMBL24196941 0.74 ALDH1A1 (0.52) ALDH1A1HPGDPTGS2NPC1RAB9A
SCHEMBL24196838 0.71 ALDH1A1 (0.49) ALDH1A1HPGDPTGS2NPC1RAB9A
SCHEMBL24196836 0.69 MAPT (0.61) ALDH1A1HPGDPTGS2NPC1RAB9A
SCHEMBL2350737 0.68 MAPT (0.51) ALDH1A1HPGDPTGS2MEN1MAPT
SCHEMBL2347392 0.65 ALDH1A1 (0.44) ALDH1A1HPGDPTGS2NPC1RAB9A
SCHEMBL2344940 0.65 ALDH1A1 (0.42) ALDH1A1HPGDPTGS2SMN1; SMN2LMNA
SCHEMBL24196835 0.65 CNR1 (0.46) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1791537-B1 3-ARYLTHIOINDOLE-2-CARBOXAMIDE DERIVATIVES AND ANALOGS THEREOF AS INHIBITORS OF CASEIN KINASE I AVENTIS PHARMA INC (US) 2009-10-14 EP claimed
US-20070142454-A1 3-ARYLTHIOINDOLE-2-CARBOXAMIDE DERIVATIVES AND ANALOGS THEREOF AS INHIBITORS OF CASEIN KINASE I AVENTIS PHARMACEUTICALS INC. (US) 2007-06-21 US claimed
US-8008340-B2 3-arylthioindole-2-carboxamide derivatives and analogs thereof as inhibitors of casein kinase I AVENTIS PHARMACEUTICALS INC. (US) 2011-08-30 US disclosed
EP-1791537-B1 3-ARYLTHIOINDOLE-2-CARBOXAMIDE DERIVATIVES AND ANALOGS THEREOF AS INHIBITORS OF CASEIN KINASE I AVENTIS PHARMA INC (US) 2009-10-14 EP disclosed
US-20070142454-A1 3-ARYLTHIOINDOLE-2-CARBOXAMIDE DERIVATIVES AND ANALOGS THEREOF AS INHIBITORS OF CASEIN KINASE I AVENTIS PHARMACEUTICALS INC. (US) 2007-06-21 US disclosed
EP-1791537-A1 3-ARYLTHIOINDOLE-2-CARBOXAMIDE DERIVATIVES AND ANALOGS THEREOF AS INHIBITORS OF CASEIN KINASE I Aventis Pharmaceuticals, Inc. (US) 2007-06-06 EP disclosed
WO-2006023590-A1 3-ARYLTHIOINDOLE-2-CARBOXAMIDE DERIVATIVES AND ANALOGS THEREOF AS INHIBITORS OF CASEIN KINASE Iϵ AVENTIS PHARMACEUTICALS INC. (US) 2006-03-02 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-20070142454-A1 3-ARYLTHIOINDOLE-2-CARBOXAMIDE DERIVATIVES AND ANALOGS THEREOF AS INHIBITORS OF CASEIN KINASE I CSNK1A1, CSNK1E, CSNK1D ALDH1A1 2916/4885HPGD 3459/4885PTGS2 2914/4885

“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.