SCHEMBL3596815

SCHEMBL3596815

CC(C)(COc1ccc(B(O)O)cc1C#N)Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.38
XDH P47989 2/20 0.36
AAK1 Q2M2I8 5/20 0.35
AR P10275 2/20 0.35
S1PR1 P21453 2/20 0.35
MRGPRX4 Q96LA9 2/20 0.34
S1PR3 Q99500 1/20 0.34
S1PR5 Q9H228 1/20 0.34

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
SCHEMBL3591595 0.86 MGLL (0.42) MGLLXDHAAK1AR
SCHEMBL3599508 0.86 ADRB2 (0.43) AR
SCHEMBL12128121 0.81 KDM4E (0.40) MGLLXDHAAK1ARS1PR1
SCHEMBL3586163 0.81 AR (0.40) AR
SCHEMBL3585125 0.80 XDH (0.38) XDHAAK1AR
SCHEMBL3589010 0.78 XDH (0.47) XDHAAK1AR
SCHEMBL3584446 0.74 XDH (0.46) XDHAAK1S1PR1S1PR3S1PR5
SCHEMBL3593175 0.74 NPC1 (0.41) AR
SCHEMBL3581427 0.74 KDM4E (0.41) XDHAAK1S1PR1MRGPRX4S1PR3
SCHEMBL8216484 0.71 XDH (0.43) XDHAR

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 MGLL 434/4885XDH 1/4885AAK1 1888/4885

“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.