SCHEMBL19167147

SCHEMBL19167147

Cc1ccc(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HB P07237 1/20 0.40
CA1 P00915 6/20 0.40
CA2 P00918 6/20 0.40
CA9 Q16790 6/20 0.40
LPL P06858 3/20 0.39
LIPG Q9Y5X9 3/20 0.39
DGAT1 O75907 1/20 0.39
CXCR2 P25025 1/20 0.39
HIF1A Q16665 1/20 0.38
USP30 Q70CQ3 1/20 0.37
F11 P03951 2/20 0.37
F2 P00734 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
CA12 O43570 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37

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
SCHEMBL1128765 0.82 P4HB (0.50) P4HBCA1CA2CA9LPL
SCHEMBL16023926 0.82 LIPE (0.47) CA1CA2CA9DGAT1CXCR2
SCHEMBL18825303 0.79 KDM4E (0.61) CA1CA2CA9CXCR2ALDH1A1
SCHEMBL26831135 0.79 LPL (0.53) P4HBCA1CA2CA9LPL
SCHEMBL7451799 0.74 ALDH1A1 (0.40) LTC4SALDH1A1LMNA
SCHEMBL2799277 0.74 DGAT1 (0.49) P4HBCA1CA2CA9LPL
SCHEMBL2640279 0.74 DGAT1 (0.49) P4HBCA1CA2CA9LPL
SCHEMBL24094844 0.73 HTT (0.52) P4HBCA1CA2CA9LPL
SCHEMBL5800648 0.73 P4HB (0.62) P4HBCA1CA2CA9LPL
SCHEMBL5655820 0.73 KDM4E (0.56) LTC4SALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170210713-A1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. 2017-07-27 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 (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-20170210713-A1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS CACNA1A, TRPV1, TRPA1 P4HB 1296/4885CA1 1637/4885CA2 204/4885

“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.