SCHEMBL4144598

SCHEMBL4144598

O=C(O)c1c(NC(=O)C(F)(F)F)sc2c1CCC1(C2)OCCO1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.72
ANO1 Q5XXA6 13/20 0.45
ANO2 Q9NQ90 1/20 0.44
PTPRC P08575 2/20 0.43
PTPN2 P17706 2/20 0.43
PTPRB P23467 2/20 0.43
PTPRE P23469 2/20 0.43
RORC P51449 1/20 0.42
TP53 P04637 2/20 0.41
MAPT P10636 2/20 0.41
BLM P54132 1/20 0.41
PTPN6 P29350 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL4147270 0.82 ANO1 (0.67) PTPN1ANO1ANO2TP53MAPT
SCHEMBL4084325 0.80 PTPN1 (0.71) PTPN1PTPRCPTPN2PTPRBPTPRE
SCHEMBL10274545 0.78 PTPN1 (0.64) PTPN1PTPRCPTPN2PTPRBPTPRE
SCHEMBL4141589 0.78 PTPRC (0.70) PTPN1ANO1ANO2PTPRCPTPN2
SCHEMBL20541969 0.77 PTPN1 (0.67) PTPN1ANO1ANO2PTPRCPTPN2
SCHEMBL20541812 0.77 ANO1 (0.69) PTPN1ANO1ANO2PTPRCPTPN2
SCHEMBL4132190 0.76 ANO1 (0.70) PTPN1ANO1ANO2PTPRCPTPN2
SCHEMBL4140828 0.76 ANO1 (0.70) PTPN1ANO1ANO2PTPRCPTPN2
SCHEMBL4147219 0.74 PTPN1 (0.69) PTPN1ANO1ANO2PTPRCPTPN2
SCHEMBL4136651 0.74 PTPN1 (0.69) PTPN1ANO1ANO2PTPRCPTPN2

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 PTPN1 494/4885ANO1 3854/4885ANO2 3897/4885

“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.