SCHEMBL11985151

SCHEMBL11985151

CCC(=O)NCc1ccc(C(F)(F)F)c(Nc2nc3cc(C(=O)N[C@H]4CC[C@H](C(F)(F)F)CC4)c(OCC(F)F)nc3[nH]2)c1

nearest known ligand 0.45

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGES O14684 20/20 0.45

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
SCHEMBL11985273 0.95 PTGES (0.44) PTGES
SCHEMBL11985125 0.94 PTGES (0.44) PTGES
SCHEMBL11985305 0.94 PTGES (0.44) PTGES
SCHEMBL11985096 0.93 PTGES (0.44) PTGES
SCHEMBL11985236 0.93 PTGES (0.45) PTGES
SCHEMBL10091491 0.93 PTGES (0.44) PTGES
SCHEMBL11985317 0.93 PTGES (0.44) PTGES
SCHEMBL11985153 0.92 PTGES (0.47) PTGES
SCHEMBL11985102 0.92 PTGES (0.49) PTGES
SCHEMBL11985100 0.92 PTGES (0.49) PTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120208839-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-16 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 (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-20120208839-A1 NEW COMPOUNDS PTGER1, PTGS1, PTGES PTGES 3/4885

“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.