SCHEMBL4136897

SCHEMBL4136897

CCOC(=O)c1sc(NC(=O)C(F)(F)F)c(C(=O)OC)c1C

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.71
ALDH1A1 P00352 13/20 0.63
TSHR P16473 5/20 0.63
HPGD P15428 7/20 0.59
HSD17B10 Q99714 5/20 0.59
KDM4E B2RXH2 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.55
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
NPSR1 Q6W5P4 2/20 0.54
DUSP3 P51452 1/20 0.54
PTPN5 P54829 1/20 0.54
PTPN11 Q06124 1/20 0.54
MAPT P10636 3/20 0.52
MAPK1 P28482 2/20 0.52
KCNH2 Q12809 1/20 0.52
POLB P06746 1/20 0.51

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
SCHEMBL11344627 0.77 ALDH1A1 (1.00) PKMALDH1A1TSHRHPGDHSD17B10
SCHEMBL18097811 0.77 ALDH1A1 (0.64) PKMALDH1A1TSHRHPGDHSD17B10
SCHEMBL18357933 0.75 KDM4E (0.71) PKMALDH1A1TSHRHPGDHSD17B10
SCHEMBL18096997 0.75 ALDH1A1 (0.61) PKMALDH1A1TSHRHPGDHSD17B10
SCHEMBL19924060 0.75 ALDH1A1 (0.61) PKMALDH1A1TSHRHPGDHSD17B10
SCHEMBL18097401 0.75 ALDH1A1 (0.61) PKMALDH1A1TSHRHPGDHSD17B10
SCHEMBL8055690 0.75 TRPM8 (0.51) PKMALDH1A1TSHRHPGDKDM4E
SCHEMBL5807480 0.75 ALDH1A1 (0.68) PKMALDH1A1TSHRHPGDHSD17B10
SCHEMBL5807478 0.75 ALDH1A1 (0.68) PKMALDH1A1TSHRHPGDHSD17B10
SCHEMBL8058325 0.74 TRPM8 (0.48) PKMALDH1A1TSHRHPGDKDM4E

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 PKM 2831/4885ALDH1A1 1202/4885TSHR 1438/4885

“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.