SCHEMBL12922064

SCHEMBL12922064

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 3/20 0.53
KDM4E B2RXH2 3/20 0.49
GAA P10253 3/20 0.49
RAB9A P51151 3/20 0.49
ALDH1A1 P00352 3/20 0.48
PKM P14618 1/20 0.48
CDC7 O00311 2/20 0.47
DBF4 Q9UBU7 2/20 0.47
IKBKB O14920 1/20 0.47
PTGS2 P35354 2/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PTGDR2 Q9Y5Y4 3/20 0.45
NPC1 O15118 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 2/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 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
SCHEMBL976360 0.90 PTGS2 (0.58) TRPM8KDM4EGAAALDH1A1PKM
SCHEMBL12922065 0.84 CDC7 (0.57) TRPM8KDM4EGAARAB9AALDH1A1
SCHEMBL4719920 0.83 ALDH1A1 (0.52) TRPM8KDM4EGAARAB9AALDH1A1
SCHEMBL1918908 0.81 IKBKB (0.51) TRPM8KDM4EGAARAB9AALDH1A1
SCHEMBL974923 0.80 TRPM8 (0.73) TRPM8KDM4EGAAALDH1A1CDC7
SCHEMBL1398686 0.80 GAA (0.50) TRPM8KDM4EGAARAB9AALDH1A1
SCHEMBL12402761 0.80 RAB9A (0.69) TRPM8KDM4EGAARAB9AALDH1A1
SCHEMBL974556 0.77 PTGS2 (0.56) TRPM8CDC7DBF4PTGS2PTGDR2
SCHEMBL2072755 0.75 TRPM8 (0.52) TRPM8KDM4EGAARAB9AALDH1A1
SCHEMBL4286677 0.75 SREBF2 (0.54) TRPM8KDM4EALDH1A1CDC7DBF4

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 3 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-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

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 TRPM8 3835/4885KDM4E 165/4885GAA 245/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 TRPM8 3835/4885KDM4E 165/4885GAA 245/4885

“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.