SCHEMBL4875990

SCHEMBL4875990

CCN(C(=O)O)c1nc(CCc2ccc(NC(=O)OC(C)(C)C)cc2)c(Cc2ccc(S(C)(=O)=O)cc2)s1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 11/20 0.46
CYP17A1 P05093 2/20 0.42
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37
MAPK14 Q16539 1/20 0.37
GLS O94925 1/20 0.37
CCR5 P51681 1/20 0.37
PSMB5 P28074 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
SCHEMBL4875900 0.86 AOC3 (0.52) AOC3PSMB5
SCHEMBL4873433 0.84 AOC3 (0.56) AOC3CYP17A1MAPK14GLS
SCHEMBL27633589 0.84 AOC3 (0.51) AOC3CYP17A1MAPK14GLS
SCHEMBL5998880 0.82 AOC3 (0.51) AOC3
SCHEMBL6393093 0.79 CYP17A1 (0.45) AOC3CYP17A1MMP1MMP2MMP9
SCHEMBL14019611 0.75 AOC3 (0.60) AOC3
SCHEMBL4866979 0.72 AOC3 (0.55) AOC3
SCHEMBL4872960 0.72 AOC3 (0.55) AOC3CYP17A1MAPK14GLS
SCHEMBL4866969 0.71 AOC3 (0.55) AOC3CYP17A1MAPK14GLS
SCHEMBL4876184 0.71 AOC3 (0.49) 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 AOC3 782/4885CYP17A1 3237/4885MMP1 510/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 AOC3 85/4885CYP17A1 3226/4885MMP1 182/4885

“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.