SCHEMBL2965869

SCHEMBL2965869

O=C(C[S+]([O-])Cc1ccc2sc3ccccc3c2c1)N1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.36
CYP1A2 P05177 1/20 0.36
PARP1 P09874 3/20 0.35
REN P00797 1/20 0.34
HTR2C P28335 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
TGM2 P21980 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
PARP3 Q9Y6F1 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
CASP3 P42574 2/20 0.33
CASP7 P55210 2/20 0.33
KDM4E B2RXH2 1/20 0.33
PTPN7 P35236 1/20 0.32
DUSP3 P51452 1/20 0.32

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
SCHEMBL2960528 0.78 CYP1A2 (0.42) CYP1A2HCRTR1HCRTR2NPC1RAB9A
SCHEMBL2958188 0.74 DPP4 (0.40) DPP4PARP1
SCHEMBL2211166 0.72 CHEK1 (0.39) DPP4HTR2CHRH4HRH3
SCHEMBL2414782 0.68 KMT2A (0.41) CYP1A2SIGMAR1HRH3RXFP1NPC1
SCHEMBL2954882 0.66 ALDH1A1 (0.50) CYP1A2PARP1CASP7KDM4E
SCHEMBL2211639 0.66 REN (0.38) CYP1A2RENSIGMAR1RXFP1
SCHEMBL20351925 0.65 KDM4E (0.44) HCRTR1NPC1RAB9ACASP3CASP7
SCHEMBL2962428 0.65 EGFR (0.39) NPC1RAB9AKDM4E
SCHEMBL4875730 0.65 CYP1A2 (0.51) CYP1A2NPC1RAB9ACASP3CASP7
SCHEMBL20351926 0.65 MAPT (0.53) CASP3CASP7KDM4E

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 DPP4 3762/4885CYP1A2 484/4885PARP1 4409/4885
US-20060241119-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives HTR1A, HTR2A, HTR5A DPP4 3762/4885CYP1A2 484/4885PARP1 4409/4885
US-20090105241-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES HTR1A, HTR2A, HTR5A DPP4 3762/4885CYP1A2 484/4885PARP1 4409/4885

“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.