SCHEMBL4151112

SCHEMBL4151112

CC(=O)N1CCc2c(sc(NC(=O)C(F)(F)F)c2C(=O)OC(C)(C)C)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.57
KDM4E B2RXH2 5/20 0.57
HSD17B10 Q99714 2/20 0.57
GAA P10253 1/20 0.57
L3MBTL1 Q9Y468 3/20 0.51
NPSR1 Q6W5P4 6/20 0.48
MAPT P10636 5/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
CASP1 P29466 2/20 0.48
CASP7 P55210 2/20 0.48
TP53 P04637 2/20 0.48
ADORA1 P30542 2/20 0.47
HPGD P15428 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
TSHR P16473 3/20 0.46
PKM P14618 1/20 0.43
BLM P54132 1/20 0.43

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
SCHEMBL4140530 0.85 ALDH1A1 (0.56) ALDH1A1KDM4EHSD17B10GAAL3MBTL1
SCHEMBL4140444 0.85 NPSR1 (0.52) ALDH1A1KDM4EHSD17B10L3MBTL1NPSR1
SCHEMBL4147431 0.81 CXCR2 (0.61) ALDH1A1KDM4EMAPTTP53HPGD
SCHEMBL4144923 0.80 CXCR2 (0.60) ALDH1A1MAPTTP53HPGDSMN1; SMN2
SCHEMBL4145276 0.80 CXCR2 (0.60) ALDH1A1MAPTTP53HPGDSMN1; SMN2
SCHEMBL8289390 0.79 NPSR1 (0.68) ALDH1A1KDM4EHSD17B10GAAL3MBTL1
SCHEMBL4132004 0.78 ADORA1 (0.67) ALDH1A1KDM4EHSD17B10GAAL3MBTL1
SCHEMBL4141551 0.78 CNR2 (0.50) ALDH1A1KDM4EGAAMAPTMEN1
SCHEMBL4144840 0.78 ANO1 (0.67) MAPTTP53SMN1; SMN2BLM
SCHEMBL13833844 0.76 ALDH1A1 (0.62) ALDH1A1KDM4EHSD17B10GAAL3MBTL1

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 1202/4885KDM4E 2942/4885HSD17B10 4366/4885

“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.