SCHEMBL16186352

SCHEMBL16186352

Cc1ccc(Oc2ccc(B(O)O)cc2)cc1C#N

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.47
CA1 P00915 2/20 0.47
AR P10275 10/20 0.44
ENPP2 Q13822 2/20 0.42
LPL P06858 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
CYP19A1 P11511 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL30549428 0.85 CA1 (0.52) CA2CA1ARENPP2CYP19A1
SCHEMBL29071486 0.85 CA1 (0.52) CA2CA1ARENPP2CYP19A1
SCHEMBL585744 0.81 ENPP2 (0.47) CA2CA1ENPP2LPLLIPG
SCHEMBL10269415 0.80 CA2 (0.57) CA2CA1ENPP2LPLLIPG
SCHEMBL15272416 0.78 AR (0.52) AR
SCHEMBL23788772 0.78 AR (0.46) ARCYP19A1ALDH1A1HPGD
SCHEMBL177439 0.76 CA2 (0.52) CA2CA1ENPP2LPLLIPG
SCHEMBL257894 0.76 CA2 (0.52) CA2CA1ENPP2LPLLIPG
SCHEMBL2230653 0.74 ENPP2 (0.76) CA2CA1ENPP2CYP19A1ALDH1A1
SCHEMBL15096347 0.74 AR (0.66) ARCYP19A1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9539253-B2 Pyrimidine diol amides as sodium channel blockers PURDUE PHARMA L.P. (US) 2017-01-10 US disclosed
US-20150335642-A1 PYRIMIDINE DIOL AMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. 2015-11-26 US disclosed
US-9133131-B2 Pyrimidine diol amides as sodium channel blockers PURDUE PHARMA L.P. (US) 2015-09-15 US disclosed
US-20140315783-A1 PYRIMIDINE DIOL AMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2014-10-23 US 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 (2 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-20140315783-A1 PYRIMIDINE DIOL AMIDES AS SODIUM CHANNEL BLOCKERS TRPV1, P2RX3, CACNA1A CA2 348/4885CA1 1353/4885AR 1402/4885
US-20150335642-A1 PYRIMIDINE DIOL AMIDES AS SODIUM CHANNEL BLOCKERS TRPV1, P2RX3, CACNA1A CA2 348/4885CA1 1353/4885AR 1402/4885

“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.