SCHEMBL4149462

SCHEMBL4149462

CC(C)(C)OC(=O)c1c(N)sc2c1CCCCC2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.63
MAPT P10636 10/20 0.63
HSD17B10 Q99714 7/20 0.63
KDM4E B2RXH2 7/20 0.63
HPGD P15428 7/20 0.63
ALOX15 P16050 6/20 0.63
MAPK1 P28482 2/20 0.63
GAA P10253 2/20 0.63
MEN1 O00255 6/20 0.60
KMT2A Q03164 6/20 0.60
TSHR P16473 2/20 0.58
CASP1 P29466 1/20 0.58
CASP7 P55210 1/20 0.58
USP2 O75604 1/20 0.58
RECQL P46063 1/20 0.54
THRB P10828 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
LMNA P02545 1/20 0.50
CXCR2 P25025 1/20 0.50
ADORA1 P30542 2/20 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
SCHEMBL2489856 0.98 ALDH1A1 (0.65) ALDH1A1MAPTHSD17B10KDM4EHPGD
SCHEMBL10711946 0.95 ALDH1A1 (0.62) ALDH1A1MAPTHSD17B10KDM4EHPGD
SCHEMBL20922443 0.83 CXCR2 (0.53) ALDH1A1MAPTHSD17B10KDM4EHPGD
SCHEMBL10714412 0.83 ALDH1A1 (0.68) ALDH1A1MAPTHSD17B10KDM4EHPGD
SCHEMBL2179728 0.81 ALDH1A1 (0.70) ALDH1A1MAPTHSD17B10KDM4EHPGD
SCHEMBL4140103 0.80 MAPT (0.67) ALDH1A1MAPTHSD17B10KDM4EHPGD
SCHEMBL4090734 0.79 ALDH1A1 (0.97) ALDH1A1MAPTHSD17B10KDM4EHPGD
SCHEMBL1887318 0.79 ALDH1A1 (0.97) ALDH1A1MAPTHSD17B10KDM4EHPGD
SCHEMBL10720071 0.79 MAPT (0.56) ALDH1A1MAPTHSD17B10KDM4EHPGD
SCHEMBL6315716 0.79 CXCR2 (0.54) ALDH1A1MAPTHSD17B10KDM4EHPGD

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 5 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 disclosed
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
US-4692461-A PLANT PROTECTION BAYER AKTIENGESELLSCHAFT (DE) 1987-09-08 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 ALDH1A1 1202/4885MAPT 1629/4885HSD17B10 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.