SCHEMBL5479153

SCHEMBL5479153

COC(=O)c1ccccc1CSc1nc2ccccc2n1CC(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 18/20 1.00
HPGD P15428 1/20 0.66
KDM4E B2RXH2 1/20 0.62
ALDH1A1 P00352 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2C9 P11712 1/20 0.62

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
SCHEMBL5106494 0.91 PTGDR2 (1.00) PTGDR2HPGD
SCHEMBL5472266 0.89 PTGDR2 (0.80) PTGDR2HPGDKDM4EALDH1A1
SCHEMBL5476953 0.87 KDM4E (0.83) PTGDR2HPGDKDM4EALDH1A1
SCHEMBL5471796 0.87 PTGDR2 (0.76) PTGDR2HPGDKDM4EALDH1A1
SCHEMBL5120483 0.84 PTGDR2 (1.00) PTGDR2HPGDCYP3A4CYP2C9
SCHEMBL5480255 0.83 PTGDR2 (0.70) PTGDR2KDM4EALDH1A1
SCHEMBL5109409 0.82 PTGDR2 (1.00) PTGDR2
SCHEMBL5121458 0.82 PTGDR2 (1.00) PTGDR2CYP3A4CYP2C9
SCHEMBL5115376 0.82 PTGDR2 (1.00) PTGDR2CYP3A4CYP2C9
SCHEMBL5120815 0.81 PTGDR2 (0.78) PTGDR2CYP3A4CYP2C9

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 2748/4885HPGD 1548/4885KDM4E 3359/4885
US-20060040976-A1 Thiobenzimidazole derivatives CMA1, SERPINB1, TMPRSS15 PTGDR2 2748/4885HPGD 1548/4885KDM4E 3359/4885
US-20050267148-A1 Benzimidazole derivative CMA1, SERPINB1, TPSAB1 PTGDR2 3468/4885HPGD 1568/4885KDM4E 2357/4885

“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.