SCHEMBL10316611

SCHEMBL10316611

CC(C)(C)OC(=O)N(CC(=O)O)c1cccc(C(NCc2ccc(-n3cccn3)cc2)S(=O)(=O)c2cccnc2)n1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 9/20 0.45
PTGER4 P35408 1/20 0.45
NAMPT P43490 7/20 0.40
GCGR P47871 1/20 0.33
GPR119 Q8TDV5 1/20 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
SCHEMBL533697 0.91 PTGER2 (0.46) PTGER2PTGER4NAMPTGPR119
SCHEMBL533608 0.90 PTGER2 (0.35) PTGER2PTGER4NAMPTGCGRGPR119
SCHEMBL13571347 0.87 PTGER2 (0.43) PTGER2NAMPT
SCHEMBL3460027 0.85 PTGER2 (0.45) PTGER2PTGER4NAMPTGCGRGPR119
SCHEMBL535216 0.84 PTGER2 (0.35) PTGER2
SCHEMBL534556 0.82 PTGER2 (0.46) PTGER2PTGER4NAMPTGPR119
SCHEMBL534557 0.80 PTGER2 (0.66) PTGER2PTGER4
SCHEMBL12982968 0.80 PTGER2 (0.40) PTGER2
SCHEMBL533640 0.79 PTGER2 (0.43) PTGER2PTGER4NAMPTGPR119
SCHEMBL533780 0.78 PTGER2 (0.35) PTGER2PTGER4NAMPTGPR119

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120226036-A1 SUBSTITUTED CARBONYL COMPOUND UBE INDUSTRIES, LTD. (JP) 2012-09-06 US disclosed
EP-2476678-A1 SUBSTITUTED CARBONYL COMPOUNDS Ube Industries, Ltd. (JP) 2012-07-18 EP 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 (1 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-20120226036-A1 SUBSTITUTED CARBONYL COMPOUND PTGER2, PTGER1, LTB4R2 PTGER2 1/4885PTGER4 10/4885NAMPT 3468/4885

“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.