SCHEMBL4871264

SCHEMBL4871264

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 12/20 0.42
RXFP1 Q9HBX9 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PIK3CD O00329 1/20 0.38
POLB P06746 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL4984508 0.90 AOC3 (0.43) AOC3RXFP1MEN1KMT2APOLB
SCHEMBL14019558 0.90 AOC3 (0.45) AOC3POLBCYP1A2CYP2D6CYP2C19
SCHEMBL4984081 0.89 AOC3 (0.39) AOC3MEN1ALDH1A1KMT2ANPSR1
Hydrochloric Acid SCHEMBL4875856 0.89 AOC3 (0.45) AOC3CA1CA2
SCHEMBL27634227 0.88 AOC3 (0.39) AOC3
Hydrochloric Acid SCHEMBL4873779 0.88 AOC3 (0.47) AOC3PIK3CD
SCHEMBL6391467 0.87 AOC3 (0.40) AOC3PIK3CDPOLBCYP1A2CYP2D6
Carbamic Acid SCHEMBL4984088 0.85 AOC3 (0.42) AOC3
SCHEMBL4991524 0.85 AOC3 (0.40) AOC3PIK3CD
SCHEMBL6390525 0.84 AOC3 (0.45) AOC3MEN1ALDH1A1KMT2APIK3CD

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-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
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 (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-20060276521-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 AOC3 782/4885RXFP1 191/4885MEN1 2478/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 AOC3 85/4885RXFP1 1319/4885MEN1 3836/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 AOC3 782/4885RXFP1 191/4885MEN1 2478/4885
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent VCAM1, ICAM1, VAPB AOC3 590/4885RXFP1 1041/4885MEN1 3241/4885

“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.