SCHEMBL2956897

SCHEMBL2956897

CCOC(=O)CSCc1ccc2oc3ccc(OC)cc3c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.57
KDM4E B2RXH2 10/20 0.47
ALDH1A1 P00352 7/20 0.47
HPGD P15428 5/20 0.47
GAA P10253 3/20 0.47
HSD17B10 Q99714 2/20 0.47
PTGS2 P35354 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 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
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.44
NQO1 P15559 1/20 0.43
MAOB P27338 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL2965451 0.86 SMN1; SMN2 (0.50) TSHRKDM4EALDH1A1HPGDGAA
SCHEMBL2954335 0.85 GABRP (0.50) TSHRKDM4EALDH1A1HPGDGAA
SCHEMBL7827480 0.80 GAA (0.53) ALDH1A1HPGDGAAHSD17B10SMN1; SMN2
SCHEMBL10048488 0.78 CYP1A2 (0.72) TSHRKDM4EALDH1A1HPGDGAA
SCHEMBL2954386 0.75 ALDH1A1 (0.47) KDM4EALDH1A1HPGDGAASMN1; SMN2
SCHEMBL2960599 0.74 ALDH1A1 (0.41) ALDH1A1MAPTNPC1RAB9ACYP1A2
SCHEMBL27118037 0.71 SMN1; SMN2 (0.43) KDM4EALDH1A1HSD17B10SMN1; SMN2MAPT
SCHEMBL13791134 0.71 ALDH1A1 (0.46) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL18045173 0.71 ALDH1A1 (0.77) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL5272918 0.70 MAOB (0.70) TSHRKDM4EALDH1A1HPGDGAA

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 TSHR 43/4885KDM4E 1472/4885ALDH1A1 2457/4885
US-20060241119-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives HTR1A, HTR2A, HTR5A TSHR 43/4885KDM4E 1472/4885ALDH1A1 2457/4885
US-20090105241-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES HTR1A, HTR2A, HTR5A TSHR 43/4885KDM4E 1472/4885ALDH1A1 2457/4885

“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.