SCHEMBL4874736

SCHEMBL4874736

CC(=O)Nc1nc(CCc2ccc(N(C(=O)O)C(C)(C)C)cc2)c(C(=O)NCc2ccc([N+](=O)[O-])cc2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.46
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
DYRK1A Q13627 1/20 0.39
MAOB P27338 1/20 0.38
RAB9A P51151 1/20 0.37
SCD O00767 1/20 0.36
AOC3 Q16853 3/20 0.36
MAPT P10636 2/20 0.36
ROCK1 Q13464 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
MMP13 P45452 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.35
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.35
ADORA2A P29274 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
SCHEMBL4982462 0.90 SCD (0.46) RAB9ASCDAOC3LMNASMN1; SMN2
SCHEMBL4875577 0.86 PPARA (0.44) PPARADYRK1ASCDAOC3
SCHEMBL4863646 0.86 AOC3 (0.47) PPARARAB9ASCDAOC3MAPT
SCHEMBL4991261 0.86 PPARA (0.42) PPARACSNK2A2CSNK2BCSNK2A1DYRK1A
SCHEMBL4867359 0.85 PPARA (0.47) PPARACSNK2A2CSNK2BCSNK2A1DYRK1A
SCHEMBL4871996 0.85 CSNK2A2 (0.44) PPARACSNK2A2CSNK2BCSNK2A1DYRK1A
SCHEMBL6216727 0.84 CSNK2A2 (0.43) PPARACSNK2A2CSNK2BCSNK2A1DYRK1A
SCHEMBL4875622 0.84 AOC3 (0.40) PPARAAOC3
SCHEMBL4991267 0.83 PPARA (0.42) PPARACSNK2A2CSNK2BCSNK2A1DYRK1A
SCHEMBL4875643 0.82 AOC3 (0.39) MAOBAOC3MEN1LMNAKMT2A

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 8 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
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 (5 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 PPARA 2346/4885CSNK2A2 4698/4885CSNK2B 4812/4885
US-20060276521-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 PPARA 1215/4885CSNK2A2 3188/4885CSNK2B 3390/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 PPARA 664/4885CSNK2A2 4565/4885CSNK2B 4793/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 PPARA 1215/4885CSNK2A2 3188/4885CSNK2B 3390/4885
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent VCAM1, ICAM1, VAPB PPARA 2910/4885CSNK2A2 3949/4885CSNK2B 4150/4885

“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.