SCHEMBL3589465

SCHEMBL3589465

CC(C)(COc1ccc(-c2ncccc2C(=O)O)cc1C#N)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
XDH P47989 7/20 0.44
TAS2R14 Q9NYV8 1/20 0.43
SLC22A12 Q96S37 1/20 0.41
AAK1 Q2M2I8 2/20 0.41
S1PR1 P21453 2/20 0.40
S1PR3 Q99500 1/20 0.40
S1PR5 Q9H228 1/20 0.40

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
SCHEMBL3592102 0.92 XDH (0.46) XDHSLC22A12
SCHEMBL3584446 0.90 XDH (0.46) XDHTAS2R14AAK1S1PR1S1PR3
SCHEMBL3589203 0.90 XDH (0.43) XDHSLC22A12AAK1
SCHEMBL3585522 0.89 KDM4E (0.43) XDHAAK1S1PR1
SCHEMBL3586916 0.87 XDH (0.54) XDH
SCHEMBL3583752 0.86 XDH (0.57) XDHSLC22A12
SCHEMBL3584954 0.84 XDH (0.48) XDHSLC22A12
SCHEMBL3586586 0.84 XDH (0.43) XDHTAS2R14S1PR1S1PR3S1PR5
SCHEMBL3583718 0.84 XDH (0.42) XDHTAS2R14
SCHEMBL3589302 0.82 XDH (0.41) XDHTAS2R14SLC22A12AAK1S1PR1

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 XDH 1/4885TAS2R14 3466/4885SLC22A12 292/4885

“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.