SCHEMBL4875844

SCHEMBL4875844

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

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 12/20 0.48
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
HTT P42858 1/20 0.35
FLT1 P17948 1/20 0.35
KDR P35968 1/20 0.35
TP53 P04637 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
SCHEMBL4871194 0.91 ALDH1A1 (0.44) AOC3ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5670972 0.87 AOC3 (0.43) AOC3SMN1; SMN2
SCHEMBL4876493 0.87 AOC3 (0.50) AOC3ALDH1A1SMN1; SMN2
SCHEMBL4875954 0.84 AOC3 (0.40) AOC3RXFP1
SCHEMBL4988431 0.84 KMT2A (0.43) AOC3ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4985594 0.84 AOC3 (0.45) AOC3ALDH1A1RXFP1FLT1KDR
SCHEMBL4992515 0.83 SCD (0.48) AOC3ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4988337 0.83 AOC3 (0.50) AOC3ALDH1A1NPC1RAB9ARXFP1
SCHEMBL4988353 0.82 NPC1 (0.42) AOC3ALDH1A1NPC1RAB9A
SCHEMBL4875929 0.82 AOC3 (0.38) AOC3ALDH1A1RXFP1

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 6 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-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 (3 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 782/4885ALDH1A1 930/4885NPC1 476/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 AOC3 782/4885ALDH1A1 930/4885NPC1 476/4885
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent VCAM1, ICAM1, VAPB AOC3 590/4885ALDH1A1 1690/4885NPC1 324/4885

“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.