SCHEMBL2964636

SCHEMBL2964636

COc1ccc2oc3ccc(C[S+]([O-])CC(N)=O)cc3c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.47
POLB P06746 1/20 0.47
KDM4E B2RXH2 8/20 0.46
ALDH1A1 P00352 6/20 0.46
HPGD P15428 5/20 0.46
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
MAPT P10636 4/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
HSD17B10 Q99714 5/20 0.45
GAA P10253 1/20 0.44
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 2/20 0.43
TSHR P16473 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL2964647 0.83 CYP1A2 (0.48) SMN1; SMN2POLBKDM4EALDH1A1HPGD
SCHEMBL2965247 0.81 NQO1 (0.37) POLBALDH1A1HPGDNPC1RAB9A
SCHEMBL11202551 0.80 CA1 (0.44) SMN1; SMN2ALDH1A1NPC1HTTLMNA
SCHEMBL2965451 0.77 SMN1; SMN2 (0.50) SMN1; SMN2POLBKDM4EALDH1A1HPGD
SCHEMBL2958961 0.71 LMNA (0.49) SMN1; SMN2KDM4EALDH1A1HPGDNPC1
SCHEMBL18045173 0.71 ALDH1A1 (0.77) SMN1; SMN2POLBKDM4EALDH1A1HPGD
SCHEMBL11423239 0.69 PTGS1 (0.58) SMN1; SMN2POLBKDM4EALDH1A1HPGD
SCHEMBL9612790 0.68 TAS1R3 (0.54) SMN1; SMN2KDM4EALDH1A1HPGDNPC1
SCHEMBL30225077 0.67 MAOA (0.63) SMN1; SMN2POLBKDM4EALDH1A1HPGD
SCHEMBL11432184 0.67 BMP1 (0.49) HTT

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 6 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
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

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 SMN1; SMN2 298/4885POLB 3139/4885KDM4E 1472/4885
US-20060241119-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives HTR1A, HTR2A, HTR5A SMN1; SMN2 298/4885POLB 3139/4885KDM4E 1472/4885
US-20090105241-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES HTR1A, HTR2A, HTR5A SMN1; SMN2 298/4885POLB 3139/4885KDM4E 1472/4885

“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.