SCHEMBL4876507

SCHEMBL4876507

CC(=O)Nc1nc(CCc2ccc(NC(NC(=O)O)NC(=O)O)cc2)c(C(=O)NCCC(=O)NCc2ccccc2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.43
AOC3 Q16853 2/20 0.41
RAB9A P51151 4/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 2/20 0.39
PTPN1 P18031 1/20 0.37
ALDH1A1 P00352 4/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
APEX1 P27695 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPC1 O15118 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
LCK P06239 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KIFC1 Q9BW19 2/20 0.36
LMNA P02545 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
SCHEMBL4992515 0.93 SCD (0.48) SCDAOC3RAB9APOLBMAPT
SCHEMBL4986280 0.89 SCD (0.44) SCDAOC3RAB9APOLBMAPT
SCHEMBL4875954 0.87 AOC3 (0.40) AOC3CYP1A2CYP2C19RXFP1MEN1
SCHEMBL4873046 0.87 SCD (0.42) SCDAOC3RAB9AMAPTPTPN1
SCHEMBL4874963 0.87 AOC3 (0.37) AOC3RAB9APOLBMAPTCYP1A2
SCHEMBL4985433 0.87 AOC3 (0.39) SCDAOC3RAB9APOLBMAPT
SCHEMBL4873575 0.86 SCD (0.40) SCDAOC3L3MBTL1
SCHEMBL4990573 0.85 SCD (0.39) SCDAOC3RAB9APOLBMAPT
SCHEMBL14019590 0.85 AOC3 (0.45) SCDAOC3RAB9APOLBMAPT
Hydrochloric Acid SCHEMBL4870553 0.85 AOC3 (0.46) SCDAOC3RAB9APOLBMAPT

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 SCD 2681/4885AOC3 782/4885RAB9A 1860/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 SCD 2681/4885AOC3 782/4885RAB9A 1860/4885
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent VCAM1, ICAM1, VAPB SCD 1094/4885AOC3 590/4885RAB9A 340/4885

“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.