SCHEMBL4875940

SCHEMBL4875940

CC(=O)Nc1nc(CCc2ccc(NC(NC(=O)O)NC(=O)O)cc2)c(CN2CCN(C(=O)N3CCOCC3)CC2)s1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 13/20 0.41
AKR1C3 P42330 1/20 0.39
OGA O60502 2/20 0.36
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL4865659 0.94 AOC3 (0.43) AOC3OGAALDH1A1
SCHEMBL4864993 0.93 AOC3 (0.41) AOC3OGAALDH1A1
SCHEMBL4875877 0.92 AOC3 (0.41) AOC3OGAALDH1A1
SCHEMBL4871416 0.90 AOC3 (0.43) AOC3OGAALDH1A1
SCHEMBL4869364 0.88 AOC3 (0.41) AOC3OGAALDH1A1
SCHEMBL4877057 0.86 AOC3 (0.43) AOC3OGA
SCHEMBL4867245 0.86 AOC3 (0.43) AOC3OGAALDH1A1
SCHEMBL4990357 0.86 AOC3 (0.39) AOC3AKR1C3OGA
SCHEMBL14019619 0.85 AOC3 (0.45) AOC3AKR1C3OGAALDH1A1
SCHEMBL4877852 0.85 AOC3 (0.44) AOC3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1608365-B1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE R TECH UENO LTD (JP) 2013-10-02 EP disclosed
US-7442715-B2 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2008-10-28 US disclosed
US-20060276521-A1 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2006-12-07 US disclosed
US-7125901-B2 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2006-10-24 US disclosed
US-20060128770-A1 Thiazole derivatives FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2006-06-15 US disclosed
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-12-23 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 (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-20060276521-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 AOC3 782/4885AKR1C3 2388/4885OGA 3571/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 AOC3 782/4885AKR1C3 2388/4885OGA 3571/4885
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent VCAM1, ICAM1, VAPB AOC3 590/4885AKR1C3 3404/4885OGA 1526/4885

“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.