SCHEMBL4867182

SCHEMBL4867182

CC(=O)Nc1nc(CCc2ccc(NC(=O)O)cc2)c(Cc2ccc(C(=O)N(C)C)cc2)s1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 17/20 0.56
RXFP1 Q9HBX9 1/20 0.42
PDK2 Q15119 1/20 0.38
PDK4 Q16654 1/20 0.38

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
SCHEMBL4987932 0.94 AOC3 (0.49) AOC3RXFP1
SCHEMBL14019551 0.90 AOC3 (0.57) AOC3
SCHEMBL4876548 0.89 AOC3 (0.51) AOC3
Hydrochloric Acid SCHEMBL4872822 0.89 AOC3 (0.58) AOC3
SCHEMBL4874901 0.88 AOC3 (0.58) AOC3RXFP1
SCHEMBL4875590 0.85 AOC3 (0.53) AOC3PDK2PDK4
Hydrochloric Acid SCHEMBL6391410 0.85 AOC3 (0.56) AOC3
Carbamic Acid SCHEMBL4876551 0.84 AOC3 (0.55) AOC3
SCHEMBL14019607 0.83 AOC3 (0.52) AOC3
SCHEMBL4863770 0.83 NPC1 (0.47) AOC3RXFP1

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-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
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 (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 782/4885RXFP1 191/4885PDK2 3637/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 AOC3 782/4885RXFP1 191/4885PDK2 3637/4885
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent VCAM1, ICAM1, VAPB AOC3 590/4885RXFP1 1041/4885PDK2 4318/4885

“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.