SCHEMBL4140799

SCHEMBL4140799

COc1cccc2cc(C(=O)Nc3sc(C)c(-c4ccccc4)c3C(N)=O)c(=O)oc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.59
RAB9A P51151 2/20 0.55
MAPT P10636 2/20 0.54
TP53 P04637 1/20 0.54
HSD17B10 Q99714 1/20 0.54
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA3 P07451 1/20 0.52
CA4 P22748 1/20 0.52
CA6 P23280 1/20 0.52
CA5A P35218 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
CA5B Q9Y2D0 1/20 0.52
RXFP1 Q9HBX9 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 2/20 0.49

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
SCHEMBL981812 0.77 MAPT (0.78) RAB9AMAPTTP53HSD17B10CA12
SCHEMBL6997315 0.77 ALDH1A1 (0.60) RAB9AMAPTTP53HSD17B10RXFP1
SCHEMBL11495843 0.74 CA12 (0.77) RAB9AMAPTHSD17B10CA12CA1
SCHEMBL7674903 0.72 GAA (0.61) GAARAB9AMAPTMEN1KMT2A
SCHEMBL4154537 0.72 ALDH1A1 (0.59) GAARAB9AMAPTTP53HSD17B10
SCHEMBL982818 0.71 CASP3 (0.62) RAB9AMAPTTP53HSD17B10CA12
SCHEMBL980310 0.70 CA12 (1.00) RAB9AMAPTHSD17B10CA12CA1
SCHEMBL4154548 0.70 ALDH1A1 (0.60) GAARAB9AMAPTTP53HSD17B10
SCHEMBL979799 0.70 CASP3 (0.61) RAB9AMAPTTP53HSD17B10CA12
Hydrochloric Acid SCHEMBL11339314 0.69 CA12 (0.97) RAB9AMAPTHSD17B10CA12CA1

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-20090143411-A1 Thiophens and Their Use as Anti-Tumor Agents COMPASS PHARMACEUTICALS LLC (US) 2009-06-04 US claimed
EP-1802634-A2 THIOPHENS AND THEIR USE AS ANTI-TUMOR AGENTS Compass Pharmaceuticals LLC (US) 2007-07-04 EP claimed
WO-2006044826-A2 THIOPHENS AND THEIR USE AS ANTI-TUMOR AGENTS COMPASS PHARMACEUTICALS LLC (US) 2006-04-27 WO claimed
US-20090143411-A1 Thiophens and Their Use as Anti-Tumor Agents COMPASS PHARMACEUTICALS LLC (US) 2009-06-04 US disclosed
EP-1802634-A2 THIOPHENS AND THEIR USE AS ANTI-TUMOR AGENTS Compass Pharmaceuticals LLC (US) 2007-07-04 EP disclosed
WO-2006044826-A2 THIOPHENS AND THEIR USE AS ANTI-TUMOR AGENTS COMPASS PHARMACEUTICALS LLC (US) 2006-04-27 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 (1 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-20090143411-A1 Thiophens and Their Use as Anti-Tumor Agents TP53, BRDT, VHL GAA 1533/4885RAB9A 3003/4885MAPT 1629/4885

“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.