SCHEMBL5482301

SCHEMBL5482301

Cc1cc2nc(SCc3ccccc3C(=O)OC(C)(C)C)n(C(=O)c3ccccc3)c2cc1C

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 10/20 0.47
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MGAM O43451 1/20 0.38
AMY1A P0DUB6 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL5479006 0.73 RAB9A (0.52) ALDH1A1GAA
SCHEMBL5472706 0.71 PTGDR2 (0.60) PTGDR2KDM4EALDH1A1
SCHEMBL5480255 0.70 PTGDR2 (0.70) PTGDR2KDM4EALDH1A1
SCHEMBL5475012 0.70 PTGDR2 (0.58) PTGDR2KDM4EALDH1A1
SCHEMBL5483053 0.69 PTGDR2 (0.56) PTGDR2KDM4EALDH1A1
SCHEMBL5471796 0.67 PTGDR2 (0.76) PTGDR2KDM4EALDH1A1
SCHEMBL5479153 0.64 PTGDR2 (1.00) PTGDR2KDM4EALDH1A1CYP3A4CYP2C9
SCHEMBL5110218 0.63 PTGDR2 (0.79) PTGDR2
SCHEMBL951581 0.63 TSHR (0.46) ALDH1A1CYP3A4
SCHEMBL5984166 0.62 BCAT2 (0.49) ALDH1A1

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-20070275995-A1 Thiobenzimidazole derivatives TEIJIN PHARMA LIMITED 2007-11-29 US disclosed
US-7268145-B2 Thiobenzimidazole derivatives TEIJIN PHARMA LIMITED (JP) 2007-09-11 US disclosed
US-20060040976-A1 Thiobenzimidazole derivatives TEIJIN LIMITED 2006-02-23 US disclosed
US-20050267148-A1 Benzimidazole derivative TEIJIN LIMITED 2005-12-01 US disclosed
EP-1097926-A1 THIOBENZIMIDAZOLE DERIVATIVES TEIJIN LIMITED (JP) 2001-05-09 EP 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 (3 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-20070275995-A1 Thiobenzimidazole derivatives CMA1, SERPINB1, TMPRSS15 PTGDR2 2748/4885KDM4E 3359/4885ALDH1A1 466/4885
US-20060040976-A1 Thiobenzimidazole derivatives CMA1, SERPINB1, TMPRSS15 PTGDR2 2748/4885KDM4E 3359/4885ALDH1A1 466/4885
US-20050267148-A1 Benzimidazole derivative CMA1, SERPINB1, TPSAB1 PTGDR2 3468/4885KDM4E 2357/4885ALDH1A1 264/4885

“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.