SCHEMBL4876983

SCHEMBL4876983

CC(=O)Nc1nc(CCc2ccc(NC(NC(=O)O)NC(=O)O)cc2)c(C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)C)s1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PYGL P06737 11/20 0.42
MMP3 P08254 1/20 0.42
AOC3 Q16853 2/20 0.41
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP14 P50281 1/20 0.39
RXFP1 Q9HBX9 1/20 0.36
SCN3A Q9NY46 1/20 0.36
ITGB1 P05556 1/20 0.36
ITGA4 P13612 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL4871988 0.91 AOC3 (0.37) AOC3MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL4875371 0.88 AOC3 (0.39) AOC3
SCHEMBL4982517 0.87 AOC3 (0.38) AOC3
SCHEMBL14019599 0.87 AOC3 (0.44) PYGLMMP3AOC3MMP9MMP8
SCHEMBL4992566 0.87 PYGL (0.40) PYGLMMP3AOC3MMP9MMP8
Hydrochloric Acid SCHEMBL4867252 0.86 AOC3 (0.45) PYGLMMP3AOC3MMP9MMP8
SCHEMBL4988353 0.85 NPC1 (0.42) AOC3NPC1
SCHEMBL4989591 0.85 AOC3 (0.37) AOC3NPC1
SCHEMBL4871194 0.84 ALDH1A1 (0.44) AOC3RXFP1MEN1CYP1A2CYP2C9
SCHEMBL4992515 0.84 SCD (0.48) AOC3RXFP1MEN1CYP1A2CYP2C9

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 PYGL 4121/4885MMP3 759/4885AOC3 782/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 PYGL 4121/4885MMP3 759/4885AOC3 782/4885
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent VCAM1, ICAM1, VAPB PYGL 2669/4885MMP3 967/4885AOC3 590/4885

“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.