SCHEMBL4134826

SCHEMBL4134826

CCCOC(=O)N1CCc2c(sc(N)c2C(=O)OC(C)(C)C)C1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 6/20 0.74
MAPT P10636 12/20 0.56
KDM4E B2RXH2 5/20 0.56
ALDH1A1 P00352 7/20 0.52
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
GAA P10253 6/20 0.52
LMNA P02545 1/20 0.45
HPGD P15428 6/20 0.44
NPSR1 Q6W5P4 5/20 0.43
ALOX15 P16050 4/20 0.43
TSHR P16473 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PKM P14618 1/20 0.43
BLM P54132 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
HTT P42858 1/20 0.43
POLB P06746 1/20 0.43
HSD17B10 Q99714 3/20 0.43
MAPK1 P28482 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
SCHEMBL5258265 0.85 ADORA1 (0.67) ADORA1MAPTKDM4EALDH1A1MEN1
SCHEMBL938054 0.85 ADORA1 (1.00) ADORA1MAPTKDM4EALDH1A1MEN1
SCHEMBL4132004 0.83 ADORA1 (0.67) ADORA1MAPTKDM4EALDH1A1MEN1
SCHEMBL970355 0.82 ADORA1 (0.83) ADORA1MAPTKDM4EALDH1A1MEN1
SCHEMBL4140444 0.81 NPSR1 (0.52) ADORA1MAPTKDM4EALDH1A1MEN1
SCHEMBL13739529 0.81 ADORA1 (0.78) ADORA1MAPTKDM4EALDH1A1MEN1
SCHEMBL16007549 0.80 ADORA1 (0.72) ADORA1MAPTKDM4EALDH1A1MEN1
SCHEMBL939860 0.79 ADORA1 (0.88) ADORA1MAPTKDM4EALDH1A1MEN1
SCHEMBL3499018 0.78 ADORA1 (1.00) ADORA1MAPTKDM4EALDH1A1MEN1
SCHEMBL351992 0.78 ADORA1 (0.82) ADORA1MAPTKDM4EALDH1A1MEN1

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 4 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

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 ADORA1 4169/4885MAPT 1629/4885KDM4E 2942/4885

“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.