SCHEMBL9899092

SCHEMBL9899092

CNc1c(N)cc(C(=O)N[C@H]2CC[C@H](C(F)(F)F)CC2)c(N2CC[C@@H](F)C2)c1F

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGES O14684 13/20 0.40
DPP4 P27487 4/20 0.37
DPP7 Q9UHL4 4/20 0.37
KCNH2 Q12809 2/20 0.35
HPGDS O60760 2/20 0.35
LIPG Q9Y5X9 1/20 0.34

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
SCHEMBL9899095 1.00 PTGES (0.40) PTGESDPP4DPP7KCNH2HPGDS
SCHEMBL9944795 0.89 TAS1R3 (0.40) DPP4DPP7KCNH2
SCHEMBL9899449 0.85 PTGES (0.39) PTGESLIPG
SCHEMBL9899446 0.85 PTGES (0.39) PTGESLIPG
SCHEMBL9946795 0.81 PTGES (0.46) PTGESDPP4DPP7
SCHEMBL9946743 0.81 PTGES (0.46) PTGESDPP4DPP7
SCHEMBL14234258 0.79 PTGES (0.42) PTGESDPP4DPP7HPGDS
SCHEMBL9942024 0.79 PTGES (0.42) PTGESDPP4DPP7HPGDS
SCHEMBL9897664 0.78 PTGES (0.40) PTGES
SCHEMBL9897667 0.78 PTGES (0.40) 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 3 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
WO-2012076673-A1 6-AMINO-2-PHENYLAMINO-1H-BENZIMIDAZOLE-5-CARBOXAMIDE- DERIVATIVES AND THEIR USE AS MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 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-20120149676-A1 NOVEL COMPOUNDS PTGS1, PTGER1, PTGES PTGES 3/4885DPP4 2717/4885DPP7 2557/4885

“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.