SCHEMBL976360

SCHEMBL976360

COC(=O)c1sc(-c2ccc(OC)cc2)nc1-c1ccc(F)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.58
PTGDR2 Q9Y5Y4 8/20 0.54
TRPM8 Q7Z2W7 2/20 0.50
APP P05067 1/20 0.50
IKBKB O14920 1/20 0.47
MAPT P10636 2/20 0.47
TP53 P04637 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
PLA2G2A P14555 1/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
USP2 O75604 1/20 0.46
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PKM P14618 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL12922064 0.90 TRPM8 (0.53) PTGS2PTGDR2TRPM8APPIKBKB
SCHEMBL974556 0.87 PTGS2 (0.56) PTGS2PTGDR2TRPM8APPMAPT
SCHEMBL13845097 0.82 PTGS2 (0.53) PTGS2PTGDR2APPMAPTKDM4E
SCHEMBL4719920 0.81 ALDH1A1 (0.52) PTGS2TRPM8IKBKBMAPTKDM4E
SCHEMBL1918908 0.81 IKBKB (0.51) PTGS2TRPM8IKBKBMAPTRXFP1
SCHEMBL10506565 0.80 PTGS2 (0.78) PTGS2PTGDR2APPMAPTKDM4E
SCHEMBL974923 0.80 TRPM8 (0.73) PTGDR2TRPM8MAPTKDM4EALDH1A1
SCHEMBL203775 0.79 ALDH1A1 (0.60) PTGS2PTGDR2MAPTKDM4EALDH1A1
SCHEMBL7050439 0.79 ALDH1A1 (0.51) PTGS2PTGDR2MAPTKDM4EALDH1A1
SCHEMBL5192927 0.78 KDM4E (0.57) PTGDR2TRPM8MAPTTP53KDM4E

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-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 US disclosed
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 US disclosed
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 US disclosed
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 US disclosed
EP-2217588-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2010-08-18 EP disclosed
WO-2009055917-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2009-05-07 WO disclosed
WO-2009055917-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2009-05-07 WO 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 (2 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-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 PTGS2 3634/4885PTGDR2 4597/4885TRPM8 3835/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 PTGS2 3634/4885PTGDR2 4597/4885TRPM8 3835/4885

“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.