SCHEMBL4869142

SCHEMBL4869142

CC(=O)Nc1nc(CCc2ccc(NC(NC(=O)O)NC(=O)O)cc2)c(C(=O)N2CCC(C(=O)N(C)C)CC2)s1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 8/20 0.35
OGA O60502 3/20 0.35
CPS1 P31327 1/20 0.34
TSHR P16473 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL4877015 0.90 AOC3 (0.39) AOC3OGATSHRMEN1KMT2A
SCHEMBL4874911 0.90 OGA (0.39) AOC3OGATSHRMEN1KMT2A
SCHEMBL4874902 0.87 UCHL1 (0.36) AOC3TSHRKMT2A
SCHEMBL4871816 0.87 UCHL1 (0.36) AOC3TSHRKMT2A
SCHEMBL4987286 0.87 AOC3 (0.39) AOC3OGAMEN1KMT2AALDH1A1
SCHEMBL4873154 0.87 AOC3 (0.40) AOC3OGA
SCHEMBL4988481 0.86 AOC3 (0.34) AOC3OGACPS1TSHRALDH1A1
SCHEMBL4873818 0.86 AOC3 (0.38) AOC3TSHRALDH1A1
SCHEMBL13679479 0.85 TSHR (0.38) AOC3OGATSHRALDH1A1
Hydrochloric Acid SCHEMBL4876897 0.85 AOC3 (0.38) AOC3OGATSHRALDH1A1

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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 782/4885OGA 3571/4885CPS1 4656/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 AOC3 782/4885OGA 3571/4885CPS1 4656/4885

“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.