SCHEMBL4867043

SCHEMBL4867043

CC(=O)Nc1nc(CCc2ccc(N/C(=N/C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)cc2)c(CN2CCC[C@@H](C(=O)O)C2)s1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OGA O60502 4/20 0.40
NPSR1 Q6W5P4 1/20 0.37
AOC3 Q16853 9/20 0.37
KDM4E B2RXH2 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
ROCK2 O75116 1/20 0.34
S1PR5 Q9H228 2/20 0.33

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
SCHEMBL4984840 1.00 OGA (0.40) OGANPSR1AOC3KDM4EOPRM1
SCHEMBL4867048 1.00 OGA (0.40) OGANPSR1AOC3KDM4EOPRM1
SCHEMBL4984823 1.00 OGA (0.40) OGANPSR1AOC3KDM4EOPRM1
SCHEMBL3941993 0.96 AOC3 (0.37) OGAAOC3S1PR5
SCHEMBL3940980 0.96 AOC3 (0.37) OGAAOC3S1PR5
SCHEMBL3932912 0.96 AOC3 (0.37) OGAAOC3S1PR5
SCHEMBL3932906 0.96 AOC3 (0.37) OGAAOC3S1PR5
SCHEMBL4876151 0.92 AOC3 (0.38) OGAAOC3
SCHEMBL4876176 0.92 AOC3 (0.38) OGAAOC3
SCHEMBL5550218 0.90 AOC3 (0.38) OGAAOC3

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-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE SUCAMPO AG (CH) 2008-05-22 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-20060229346-A1 Method for treating vascular hyperpermeable disease SUCAMPO AG (CH) 2006-10-12 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 (5 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 OGA 1488/4885NPSR1 3961/4885AOC3 202/4885
US-20060276521-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 OGA 3571/4885NPSR1 3992/4885AOC3 782/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 OGA 990/4885NPSR1 4477/4885AOC3 85/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 OGA 3571/4885NPSR1 3992/4885AOC3 782/4885
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent VCAM1, ICAM1, VAPB OGA 1526/4885NPSR1 4114/4885AOC3 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.