SCHEMBL3584446

SCHEMBL3584446

CC(C)(COc1ccc(-c2ncccc2C(=O)O)cc1C#N)Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
XDH P47989 8/20 0.46
S1PR1 P21453 2/20 0.42
S1PR3 Q99500 1/20 0.42
S1PR5 Q9H228 1/20 0.42
TAS2R14 Q9NYV8 1/20 0.41
AAK1 Q2M2I8 1/20 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
SCHEMBL3583160 0.91 XDH (0.48) XDHAAK1
SCHEMBL3589465 0.90 XDH (0.44) XDHS1PR1S1PR3S1PR5TAS2R14
SCHEMBL3581427 0.90 KDM4E (0.41) XDHS1PR1S1PR3S1PR5AAK1
SCHEMBL3590050 0.89 XDH (0.42) XDHAAK1
SCHEMBL3586916 0.88 XDH (0.54) XDH
SCHEMBL3586586 0.86 XDH (0.43) XDHS1PR1S1PR3S1PR5TAS2R14
SCHEMBL3589302 0.85 XDH (0.41) XDHS1PR1S1PR3S1PR5TAS2R14
SCHEMBL3583718 0.85 XDH (0.42) XDHTAS2R14
SCHEMBL3584954 0.84 XDH (0.48) XDH
SCHEMBL3583752 0.84 XDH (0.57) 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 XDH 1/4885S1PR1 1999/4885S1PR3 2299/4885

“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.