SCHEMBL3588914

SCHEMBL3588914

N#Cc1cc(-c2ncccc2C(=O)O)ccc1OCCCc1ccccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.41
TAS2R14 Q9NYV8 1/20 0.41
XDH P47989 6/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
SLC22A12 Q96S37 1/20 0.38

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
SCHEMBL3587268 0.97 AR (0.41) ARTAS2R14XDHPPARGPPARA
SCHEMBL3580264 0.89 KDM4E (0.40) AR
SCHEMBL3593046 0.88 XDH (0.42) XDHSLC22A12
SCHEMBL3585538 0.87 KDM4E (0.39) AR
SCHEMBL3589302 0.86 XDH (0.41) ARTAS2R14XDHSLC22A12
SCHEMBL3583722 0.85 XDH (0.41) XDH
SCHEMBL3584617 0.85 XDH (0.50) XDHSLC22A12
SCHEMBL3586586 0.85 XDH (0.43) TAS2R14XDH
SCHEMBL4391304 0.84 ALDH1A1 (0.41) ARXDHSLC22A12
SCHEMBL3585536 0.83 ALDH1A1 (0.41) ARXDH

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 AR 3786/4885TAS2R14 3466/4885XDH 1/4885

“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.