SCHEMBL672703

SCHEMBL672703

CNc1nc(OCC(F)F)c(C(=O)NC2CCC(C(F)(F)F)CC2)cc1N

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGES O14684 10/20 0.44
LRRK2 Q5S007 1/20 0.38
HPGDS O60760 2/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL671327 1.00 PTGES (0.44) PTGESLRRK2HPGDSCNR1CNR2
SCHEMBL10091441 0.88 PTGES (0.42) PTGESHPGDSCNR1CNR2
SCHEMBL672444 0.88 PTGES (0.42) PTGESHPGDSCNR1CNR2
SCHEMBL672445 0.88 PTGES (0.42) PTGESHPGDSCNR1CNR2
SCHEMBL11907809 0.88 CNR1 (0.38) PTGESLRRK2CNR1CNR2
SCHEMBL11908598 0.88 TYK2 (0.42) PTGESLRRK2CNR2
SCHEMBL670211 0.88 TYK2 (0.42) PTGESLRRK2CNR2
SCHEMBL670861 0.88 CNR1 (0.38) PTGESLRRK2CNR1CNR2
SCHEMBL11980752 0.87 CNR2 (0.39) PTGESLRRK2CNR1CNR2
SCHEMBL2355799 0.85 PTGES (0.41) PTGESLRRK2HPGDS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586604-B2 Inhibitors of the microsomal prostaglandin E2 synthase-1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-19 US disclosed
EP-2606046-A1 2-(ARYLAMINO)-3H-IMIDAZO[4,5-B]PYRIDINE-6-CARBOXAMIDE DERIVATIVES AND THEIR USE AS MPGES-1 INHIBITORS Boehringer Ingelheim International GmbH (DE) 2013-06-26 EP disclosed
US-20120208839-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-16 US disclosed
WO-2012022792-A1 2-(ARYLAMINO)-3H-IMIDAZO[4,5-B]PYRIDINE-6-CARBOXAMIDE DERIVATIVES AND THEIR USE AS MPGES-1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-23 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 (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 3/4885LRRK2 3541/4885HPGDS 8/4885

“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.