SCHEMBL9946757

SCHEMBL9946757

CNc1cc(N2CC[C@H](F)C2)c(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1N

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGES O14684 6/20 0.49
ABL1 P00519 11/20 0.47
MAPT P10636 2/20 0.45
TP53 P04637 1/20 0.45
EPHX2 P34913 1/20 0.43

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
SCHEMBL9946848 1.00 PTGES (0.49) PTGESABL1MAPTTP53EPHX2
SCHEMBL9946597 0.94 MAPT (0.48) PTGESABL1MAPTTP53EPHX2
SCHEMBL9946826 0.90 PTGES (0.51) PTGESABL1MAPTTP53EPHX2
SCHEMBL9898228 0.87 PTGES (0.48) PTGESABL1MAPTTP53EPHX2
SCHEMBL9898230 0.87 PTGES (0.48) PTGESABL1MAPTTP53EPHX2
SCHEMBL9944979 0.87 L3MBTL1 (0.41) MAPT
SCHEMBL9944977 0.87 L3MBTL1 (0.41) MAPT
SCHEMBL9946856 0.85 MAPT (0.53) PTGESABL1MAPTEPHX2
SCHEMBL9946656 0.84 PTGES (0.48) PTGESABL1MAPTTP53EPHX2
SCHEMBL9945036 0.81 ALDH1A1 (0.46) MAPT

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-8674113-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-18 US disclosed
US-20120149676-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 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-20120149676-A1 NOVEL COMPOUNDS PTGS1, PTGER1, PTGES PTGES 3/4885ABL1 3956/4885MAPT 4336/4885

“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.