SCHEMBL3589392

SCHEMBL3589392

CC(C)(C)COc1ccc(B(O)O)cc1F

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.37
AAK1 Q2M2I8 8/20 0.36
DGAT1 O75907 1/20 0.32
HIF1A Q16665 1/20 0.32
MGLL Q99685 2/20 0.32
LPL P06858 1/20 0.32
LIPG Q9Y5X9 1/20 0.32

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
SCHEMBL2559591 0.85 ALDH1A1 (0.41) ENPP2MGLL
SCHEMBL29825639 0.81 KDM1A (0.46) ENPP2LPLLIPG
SCHEMBL8351 0.81 KDM1A (0.46) ENPP2LPLLIPG
SCHEMBL3587911 0.81 AAK1 (0.38) ENPP2AAK1MGLL
SCHEMBL6890847 0.79 ENPP2 (0.40) ENPP2LPLLIPG
SCHEMBL177284 0.79 MAPT (0.40) ENPP2LPLLIPG
SCHEMBL12126095 0.78 ENPP2 (0.35) ENPP2HIF1ALPLLIPG
SCHEMBL18997072 0.78 MEN1 (0.43) AAK1
SCHEMBL23363515 0.77 ENPP2 (0.43) ENPP2HIF1ALPLLIPG
SCHEMBL1823994 0.77 KDR (0.44) ENPP2

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 ENPP2 487/4885AAK1 1888/4885DGAT1 698/4885

“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.