SCHEMBL4988337

SCHEMBL4988337

CSc1ccc(CNC(=O)c2sc(NC(C)=O)nc2CCc2ccc(NC(=O)O)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.50
CHRM4 P08173 2/20 0.46
TP53 P04637 2/20 0.44
RAB9A P51151 2/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
SCD O00767 1/20 0.42
KMT2A Q03164 3/20 0.40
ADRB2 P07550 1/20 0.40
RXFP1 Q9HBX9 2/20 0.39
MEN1 O00255 2/20 0.39
PTPN1 P18031 1/20 0.38
EPHX2 P34913 2/20 0.38
NR1H4 Q96RI1 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
PPARA Q07869 1/20 0.37

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
SCHEMBL4871790 0.90 SCD (0.53) AOC3CHRM4RAB9AMAPTNPC1
SCHEMBL27633662 0.88 AOC3 (0.46) AOC3CHRM4TP53RAB9AMAPT
SCHEMBL4875867 0.86 AOC3 (0.52) AOC3CHRM4TP53SCDKMT2A
SCHEMBL4986379 0.86 PPARA (0.53) CHRM4SCDEPHX2NR1H4PPARA
SCHEMBL4867359 0.85 PPARA (0.47) RAB9AMAPTSCDKMT2AMEN1
SCHEMBL4863646 0.85 AOC3 (0.47) AOC3CHRM4TP53RAB9AMAPT
SCHEMBL6393080 0.84 AOC3 (0.52) AOC3CHRM4TP53MAPTSCD
SCHEMBL4984508 0.84 AOC3 (0.43) AOC3RAB9ANPC1KMT2ARXFP1
SCHEMBL4867181 0.83 AOC3 (0.48) AOC3KMT2ARXFP1MEN1
SCHEMBL4875844 0.83 AOC3 (0.48) AOC3TP53RAB9ANPC1RXFP1

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-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE SUCAMPO AG (CH) 2008-05-22 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
EP-1608365-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE Sucampo AG (CH) 2005-12-28 EP disclosed
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-12-23 US disclosed
WO-2004087138-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE SUCAMPO AG (CH) 2004-10-14 WO 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 1969/4885TP53 4792/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 AOC3 85/4885CHRM4 2276/4885TP53 4811/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 AOC3 782/4885CHRM4 2289/4885TP53 4271/4885
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent VCAM1, ICAM1, VAPB AOC3 590/4885CHRM4 3947/4885TP53 4620/4885

“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.