SCHEMBL3587316

SCHEMBL3587316

N#Cc1cc(-c2ncccc2C(=O)O)ccc1OCCc1ccc(C(F)(F)F)cc1F

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 1/20 0.43
MRGPRX4 Q96LA9 3/20 0.42
PPARD Q03181 8/20 0.41
PPARA Q07869 5/20 0.41
XDH P47989 6/20 0.41

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
SCHEMBL3586586 0.85 XDH (0.43) TAS2R14XDH
SCHEMBL3583718 0.84 XDH (0.42) TAS2R14XDH
SCHEMBL3593046 0.83 XDH (0.42) XDH
SCHEMBL3583722 0.82 XDH (0.41) XDH
SCHEMBL3586916 0.82 XDH (0.54) XDH
SCHEMBL3588186 0.81 XDH (0.43) MRGPRX4XDH
SCHEMBL3579351 0.81 XDH (0.52) XDH
SCHEMBL3583133 0.81 XDH (0.48) XDH
SCHEMBL3588914 0.81 AR (0.41) TAS2R14PPARAXDH
SCHEMBL3589529 0.80 XDH (0.51) XDH

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-20100004459-A1 2-PHENYLNICOTINIC ACID DERIVATIVE NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
EP-2128136-A1 2-PHENYLNICOTINIC ACID DERIVATIVE Nippon Zoki Pharmaceutical Co., Ltd. (JP) 2009-12-02 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-20100004459-A1 2-PHENYLNICOTINIC ACID DERIVATIVE XDH, NUDT1, PNPO TAS2R14 3466/4885MRGPRX4 3567/4885PPARD 440/4885

“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.