SCHEMBL4875867

SCHEMBL4875867

CC(=O)Nc1nc(CCc2ccc(NC(=O)O)cc2)c(C(=O)NCc2ccc(S(C)(=O)=O)cc2)s1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 11/20 0.52
CHRM4 P08173 3/20 0.47
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CG P48736 1/20 0.44
NAMPT P43490 1/20 0.43
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
SCD O00767 1/20 0.42
LMNA P02545 1/20 0.41
EPHX2 P34913 1/20 0.39
NR1H4 Q96RI1 1/20 0.39

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
SCHEMBL14417437 0.90 AOC3 (0.54) AOC3CHRM4PIK3CDPIK3CAPIK3CB
SCHEMBL4874051 0.90 AOC3 (0.48) AOC3CHRM4PIK3CDPIK3CAPIK3CB
SCHEMBL4871790 0.89 SCD (0.53) AOC3CHRM4MEN1POLBKMT2A
Hydrochloric Acid SCHEMBL4870639 0.89 AOC3 (0.55) AOC3CHRM4PIK3CDPIK3CAPIK3CB
SCHEMBL4876117 0.89 AOC3 (0.56) AOC3CHRM4PIK3CDPIK3CAPIK3CB
SCHEMBL27633810 0.88 AOC3 (0.53) AOC3CHRM4PIK3CDPIK3CAPIK3CB
SCHEMBL4867359 0.86 PPARA (0.47) MEN1KMT2ASCDLMNA
SCHEMBL4988337 0.86 AOC3 (0.50) AOC3CHRM4MEN1TP53KMT2A
SCHEMBL4986379 0.85 PPARA (0.53) CHRM4NAMPTSCDEPHX2NR1H4
Carbamic Acid SCHEMBL4874057 0.85 AOC3 (0.51) AOC3CHRM4PIK3CDPIK3CAPIK3CB

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 7 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-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE SUCAMPO AG (CH) 2008-05-22 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-20060229346-A1 Method for treating vascular hyperpermeable disease SUCAMPO AG (CH) 2006-10-12 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 (4 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-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE VCAM1, ICAM1, VAPB AOC3 202/4885CHRM4 1969/4885PIK3CD 4600/4885
US-20060276521-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 AOC3 782/4885CHRM4 2289/4885PIK3CD 4519/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 AOC3 85/4885CHRM4 2276/4885PIK3CD 4683/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 AOC3 782/4885CHRM4 2289/4885PIK3CD 4519/4885

“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.