SCHEMBL3589302

SCHEMBL3589302

CC(C)(COc1ccc(-c2ncccc2C(=O)O)cc1C#N)Cc1ccccc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
XDH P47989 6/20 0.41
TAS2R14 Q9NYV8 1/20 0.40
SLC22A12 Q96S37 1/20 0.39
AAK1 Q2M2I8 2/20 0.39
AR P10275 1/20 0.39
S1PR1 P21453 2/20 0.38
S1PR3 Q99500 1/20 0.38
S1PR5 Q9H228 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
SCHEMBL3579152 0.90 KDM4E (0.39) XDHAAK1AR
SCHEMBL3589390 0.88 XDH (0.42) XDHSLC22A12AAK1
SCHEMBL3583160 0.86 XDH (0.48) XDHSLC22A12AAK1
SCHEMBL3588914 0.86 AR (0.41) XDHTAS2R14SLC22A12AR
SCHEMBL3587268 0.85 AR (0.41) XDHTAS2R14AR
SCHEMBL3584446 0.85 XDH (0.46) XDHTAS2R14AAK1S1PR1S1PR3
SCHEMBL3584954 0.83 XDH (0.48) XDHSLC22A12
SCHEMBL3583752 0.83 XDH (0.57) XDHSLC22A12
SCHEMBL3589465 0.82 XDH (0.44) XDHTAS2R14SLC22A12AAK1S1PR1
SCHEMBL3592102 0.82 XDH (0.46) XDHSLC22A12

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.