SCHEMBL4139730

SCHEMBL4139730

O=C(O)C(=O)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CCCCC2

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 8/20 0.72
MAPT P10636 4/20 0.68
TP53 P04637 3/20 0.66
PTPN1 P18031 2/20 0.64
PTPRC P08575 1/20 0.62
PTPN2 P17706 1/20 0.62
PTPRB P23467 1/20 0.62
PTPRE P23469 1/20 0.62
PTPN6 P29350 1/20 0.62
RXFP1 Q9HBX9 1/20 0.61
ANO2 Q9NQ90 1/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
TNF P01375 1/20 0.60
NOD1 Q9Y239 1/20 0.60
KDM4E B2RXH2 2/20 0.59
ALDH1A1 P00352 2/20 0.59
POLB P06746 2/20 0.59
THRB P10828 1/20 0.59
HTT P42858 1/20 0.59

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
SCHEMBL4147401 0.89 ANO1 (0.71) ANO1MAPTTP53RXFP1ANO2
SCHEMBL4147929 0.87 ANO1 (0.73) ANO1MAPTTP53RXFP1MEN1
SCHEMBL4156793 0.86 MAPT (0.72) ANO1MAPTTP53RXFP1ANO2
SCHEMBL4132150 0.85 MAPT (0.73) ANO1MAPTTP53RXFP1MEN1
SCHEMBL4144067 0.84 TLR2 (0.64) ANO1MAPTTP53RXFP1MEN1
SCHEMBL4144292 0.84 ANO1 (0.72) ANO1MAPTTP53RXFP1ANO2
SCHEMBL4151223 0.84 ANO1 (1.00) ANO1MAPTTP53ANO2SMN1; SMN2
SCHEMBL4134799 0.84 ANO1 (1.00) ANO1MAPTTP53ANO2SMN1; SMN2
SCHEMBL20353855 0.83 ANO1 (0.68) ANO1MAPTTP53RXFP1MEN1
SCHEMBL8289815 0.83 ANO1 (0.68) ANO1MAPTTP53RXFP1MEN1

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 ANO1 3854/4885MAPT 1629/4885TP53 1/4885

“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.