SCHEMBL4131894

SCHEMBL4131894

CCCOC(=O)N1CCc2c(sc(NC(=O)C(F)(F)F)c2C(=O)O)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.50
NPSR1 Q6W5P4 8/20 0.50
MAPT P10636 5/20 0.50
HPGD P15428 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
TSHR P16473 3/20 0.50
ALOX15 P16050 2/20 0.50
HTT P42858 2/20 0.50
PDE4D Q08499 2/20 0.50
PKM P14618 1/20 0.50
BLM P54132 1/20 0.50
GPR55 Q9Y2T6 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
TP53 P04637 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
KDM4E B2RXH2 3/20 0.49
HSD17B10 Q99714 3/20 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
SCHEMBL4140444 0.89 NPSR1 (0.52) ALDH1A1NPSR1MAPTHPGDSMN1; SMN2
SCHEMBL4141401 0.85 ANO1 (0.58) ALDH1A1NPSR1MAPTHPGDSMN1; SMN2
SCHEMBL8289390 0.85 NPSR1 (0.68) ALDH1A1NPSR1MAPTHPGDSMN1; SMN2
SCHEMBL4140530 0.83 ALDH1A1 (0.56) ALDH1A1NPSR1MAPTHPGDSMN1; SMN2
SCHEMBL4147506 0.82 MAPT (0.62) ALDH1A1NPSR1MAPTHPGDSMN1; SMN2
SCHEMBL5258265 0.81 ADORA1 (0.67) ALDH1A1NPSR1MAPTHPGDSMN1; SMN2
SCHEMBL6315824 0.79 PTPN1 (0.65) ALDH1A1NPSR1MAPTHPGDSMN1; SMN2
SCHEMBL13736559 0.72 ADORA1 (0.68) ALDH1A1NPSR1MAPTHPGDSMN1; SMN2
SCHEMBL4151112 0.72 ALDH1A1 (0.57) ALDH1A1NPSR1MAPTHPGDSMN1; SMN2
SCHEMBL20541812 0.70 ANO1 (0.69) MAPTSMN1; SMN2BLMKMT2AMEN1

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 ALDH1A1 1202/4885NPSR1 2477/4885MAPT 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.