SCHEMBL2965451

SCHEMBL2965451

COc1ccc2oc3ccc(CSCC(N)=O)cc3c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.50
POLB P06746 1/20 0.50
KDM4E B2RXH2 8/20 0.49
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
ALDH1A1 P00352 6/20 0.49
HPGD P15428 5/20 0.49
MAPT P10636 5/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
CYP1A2 P05177 2/20 0.48
HSD17B10 Q99714 5/20 0.47
GAA P10253 1/20 0.47
TP53 P04637 1/20 0.46
HTT P42858 1/20 0.46
NQO1 P15559 1/20 0.46
TSHR P16473 2/20 0.46
LMNA P02545 2/20 0.45

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
SCHEMBL2956897 0.86 TSHR (0.57) SMN1; SMN2POLBKDM4ENPC1RAB9A
SCHEMBL2965345 0.81 CYP1A2 (0.51) SMN1; SMN2KDM4ENPC1RAB9AALDH1A1
SCHEMBL2956519 0.80 KMT2A (0.45) POLBNPC1RAB9AALDH1A1TP53
SCHEMBL11197684 0.79 MEN1 (0.61) SMN1; SMN2KDM4ERAB9AALDH1A1MAPT
SCHEMBL2964636 0.77 SMN1; SMN2 (0.47) SMN1; SMN2POLBKDM4ENPC1RAB9A
SCHEMBL2954386 0.75 ALDH1A1 (0.47) SMN1; SMN2KDM4ENPC1RAB9AALDH1A1
SCHEMBL2960599 0.74 ALDH1A1 (0.41) POLBNPC1RAB9AALDH1A1MAPT
SCHEMBL18045173 0.73 ALDH1A1 (0.77) SMN1; SMN2POLBKDM4ENPC1RAB9A
SCHEMBL11423239 0.71 PTGS1 (0.58) SMN1; SMN2POLBKDM4ENPC1RAB9A
SCHEMBL2954335 0.71 GABRP (0.50) SMN1; SMN2POLBKDM4ENPC1RAB9A

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 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.