SCHEMBL2965489

SCHEMBL2965489

O=C(O)CSCc1ccc2oc3ccc(Cl)cc3c2c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
HPGD P15428 3/20 0.47
HSD17B10 Q99714 3/20 0.47
KDM4E B2RXH2 3/20 0.47
TTR P02766 2/20 0.46
POLB P06746 2/20 0.46
AHR P35869 1/20 0.44
MAPK1 P28482 2/20 0.44
ALOX15 P16050 1/20 0.44
MCL1 Q07820 1/20 0.43
GAA P10253 1/20 0.43
NQO1 P15559 1/20 0.43
HTT P42858 1/20 0.42
CYP1A2 P05177 1/20 0.42
KCNH2 Q12809 1/20 0.40
MAOB P27338 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 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
SCHEMBL2956906 0.84 LMNA (0.51) ALDH1A1HPGDHSD17B10KDM4EPOLB
SCHEMBL2958606 0.83 POLB (0.46) ALDH1A1HPGDKDM4EPOLBGAA
SCHEMBL2964860 0.79 ALDH1A1 (0.52) ALDH1A1HPGDHSD17B10POLBMAPK1
SCHEMBL2958198 0.76 MAPT (0.50) ALDH1A1HPGDHSD17B10KDM4EPOLB
SCHEMBL11425177 0.74 TTR (0.51) ALDH1A1HPGDHSD17B10KDM4ETTR
SCHEMBL8470768 0.74 CYP1A2 (0.60) ALDH1A1HPGDKDM4ECYP1A2KMT2A
SCHEMBL2957087 0.74 AHR (0.56) ALDH1A1HPGDHSD17B10KDM4ETTR
Methane SCHEMBL10547214 0.73 TTR (0.50) ALDH1A1HPGDHSD17B10KDM4ETTR
SCHEMBL2965345 0.73 CYP1A2 (0.51) ALDH1A1HPGDHSD17B10KDM4ETTR
SCHEMBL11270958 0.72 HTT (0.51) KDM4EPOLBGAAHTTCYP1A2

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
US-7772237-B2 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2010-08-10 US disclosed
US-20090105241-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES CEPHALON FRANCE (FR) 2009-04-23 US disclosed
US-7476690-B2 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2009-01-13 US disclosed
EP-1735300-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES CEPHALON FRANCE (FR) 2006-12-27 EP disclosed
US-20060241119-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2006-10-26 US disclosed
US-7119214-B2 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2006-10-10 US disclosed
US-20050282821-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2005-12-22 US disclosed
WO-2005100345-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES CEPHALON FRANCE (FR) 2005-10-27 WO disclosed
EP-1589016-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2005-10-26 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 (3 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-20050282821-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives HTR1A, HTR2A, HTR5A ALDH1A1 2457/4885HPGD 3681/4885HSD17B10 1734/4885
US-20060241119-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives HTR1A, HTR2A, HTR5A ALDH1A1 2457/4885HPGD 3681/4885HSD17B10 1734/4885
US-20090105241-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES HTR1A, HTR2A, HTR5A ALDH1A1 2457/4885HPGD 3681/4885HSD17B10 1734/4885

“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.