SCHEMBL4986280

SCHEMBL4986280

CC(=O)Nc1nc(CCc2ccc(NC(NC(=O)O)NC(=O)O)cc2)c(C(=O)NCCNC(=O)Cc2ccccc2)s1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.44
AOC3 Q16853 2/20 0.42
CSNK1D P48730 2/20 0.40
MAPT P10636 2/20 0.38
POLB P06746 2/20 0.38
RAB9A P51151 2/20 0.38
GLS O94925 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
NPC1 O15118 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RORC P51449 1/20 0.37
EPHX2 P34913 1/20 0.37
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
USP28 Q96RU2 1/20 0.35
USP25 Q9UHP3 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
SCHEMBL4875954 0.90 AOC3 (0.40) AOC3RXFP1MEN1KMT2A
SCHEMBL4992515 0.89 SCD (0.48) SCDAOC3MAPTPOLBRAB9A
SCHEMBL4876507 0.89 SCD (0.43) SCDAOC3MAPTPOLBRAB9A
SCHEMBL4871194 0.86 ALDH1A1 (0.44) AOC3MAPTRAB9ARXFP1NPC1
SCHEMBL4984081 0.86 AOC3 (0.39) AOC3MEN1KMT2A
SCHEMBL4985433 0.85 AOC3 (0.39) SCDAOC3MAPTPOLBRAB9A
SCHEMBL4875737 0.85 SCD (0.40) SCDAOC3CSNK1DMAPTPOLB
SCHEMBL4990497 0.85 AOC3 (0.37) AOC3MEN1KMT2AEPHX2HPGD
SCHEMBL4874963 0.85 AOC3 (0.37) AOC3MAPTPOLBRAB9ANPC1
SCHEMBL4866959 0.85 AOC3 (0.40) AOC3KMT2A

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 5 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-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-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE VCAM1, ICAM1, VAPB SCD 715/4885AOC3 202/4885CSNK1D 4848/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 SCD 2681/4885AOC3 782/4885CSNK1D 1836/4885
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent VCAM1, ICAM1, VAPB SCD 1094/4885AOC3 590/4885CSNK1D 2445/4885

“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.