SCHEMBL4875746

SCHEMBL4875746

CCCCCCNC(=O)c1sc(NC(C)=O)nc1CCc1ccc(NC(N(C(=O)O)C(C)(C)C)N(C(=O)O)C(C)(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 3/20 0.36
AOC3 Q16853 11/20 0.35
HPGD P15428 1/20 0.33
S1PR1 P21453 1/20 0.33
SPHK1 Q9NYA1 1/20 0.33
EPHX2 P34913 1/20 0.32
ADRB3 P13945 1/20 0.32
NAAA Q02083 1/20 0.32

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
SCHEMBL4992580 0.92 TBK1 (0.34) AOC3
SCHEMBL4986159 0.91 AOC3 (0.37) AOC3
SCHEMBL4989625 0.91 AOC3 (0.34) AOC3
SCHEMBL4982416 0.90 AOC3 (0.35) AOC3
SCHEMBL4982245 0.88 AOC3 (0.36) AOC3
SCHEMBL4987276 0.87 AOC3 (0.37) AOC3
SCHEMBL6390501 0.87 GHSR (0.39) GHSRAOC3HPGDSPHK1EPHX2
SCHEMBL4871385 0.87 AOC3 (0.41) AOC3
SCHEMBL4875654 0.87 AOC3 (0.37) AOC3
SCHEMBL4986016 0.86 AOC3 (0.36) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20060229346-A1 Method for treating vascular hyperpermeable disease SUCAMPO AG (CH) 2006-10-12 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 GHSR 2084/4885AOC3 782/4885HPGD 3652/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 GHSR 2631/4885AOC3 85/4885HPGD 947/4885

“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.