SCHEMBL5480255

SCHEMBL5480255

COC(=O)c1ccccc1CSc1nc2ccccc2n1Cc1ccccc1C(=O)OC(C)(C)C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 11/20 0.70
KDM4E B2RXH2 1/20 0.66
ALDH1A1 P00352 1/20 0.66
DRD2 P14416 3/20 0.52
TBXA2R P21731 3/20 0.52
HDAC3 O15379 2/20 0.48
HDAC4 P56524 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC9 Q9UKV0 2/20 0.48
HDAC5 Q9UQL6 2/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.47
NPC1 O15118 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL5476953 0.89 KDM4E (0.83) PTGDR2KDM4EALDH1A1DRD2TBXA2R
SCHEMBL5471796 0.88 PTGDR2 (0.76) PTGDR2KDM4EALDH1A1MAPTNPC1
SCHEMBL5479106 0.83 PTGDR2 (0.68) PTGDR2KDM4EALDH1A1DRD2TBXA2R
SCHEMBL5479153 0.83 PTGDR2 (1.00) PTGDR2KDM4EALDH1A1
SCHEMBL5472266 0.78 PTGDR2 (0.80) PTGDR2KDM4EALDH1A1MAPT
SCHEMBL5479109 0.78 PTGDR2 (0.64) PTGDR2KDM4EALDH1A1DRD2TBXA2R
SCHEMBL5471805 0.76 PTGDR2 (0.58) PTGDR2KDM4EALDH1A1DRD2TBXA2R
SCHEMBL31362217 0.75 PTGDR2 (0.56) PTGDR2KDM4EALDH1A1DRD2TBXA2R
SCHEMBL5106494 0.74 PTGDR2 (1.00) PTGDR2
SCHEMBL5483053 0.74 PTGDR2 (0.56) PTGDR2KDM4EALDH1A1DRD2TBXA2R

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.