SCHEMBL805968

SCHEMBL805968

CC1(C)OB(c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)OC1(C)C

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
LIPE Q05469 4/20 0.48
LPL P06858 12/20 0.47
LIPG Q9Y5X9 12/20 0.47
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
F2 P00734 1/20 0.42
F11 P03951 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42

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
SCHEMBL418767 0.90 LPL (0.56) CA1CA2CA9LPLLIPG
SCHEMBL5243207 0.86 CA1 (0.61) CA1CA2CA9LPLLIPG
SCHEMBL20995742 0.86 LTA4H (0.43) CA1CA2CA9LIPELPL
Cyclopentane SCHEMBL28610823 0.85 LPL (0.51) CA1CA2CA9LPLLIPG
SCHEMBL19830999 0.85 LIPG (0.66) CA1CA2CA9LPLLIPG
SCHEMBL31617588 0.84 LIPE (0.43) CA1CA2CA9LIPELPL
SCHEMBL14746748 0.84 CA1 (0.49) CA1CA2CA9LIPELPL
SCHEMBL805967 0.83 LIPE (0.60) LIPE
SCHEMBL17129337 0.83 MAOB (0.55) LPLLIPG
SCHEMBL2185165 0.83 CA1 (0.48) CA1CA2CA9LIPELPL

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 74 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3293184-B1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA LP (US) 2020-12-16 EP disclosed
EP-3293184-B1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA LP (US) 2020-12-16 EP disclosed
EP-3083606-B1 PYRIMIDINES AND USE THEREOF PURDUE PHARMA LP (US) 2020-10-28 EP disclosed
US-10774050-B2 Pyrimidines as sodium channel blockers PURDUE PHARMA, L.P. (US) 2020-09-15 US disclosed
US-10774050-B2 Pyrimidines as sodium channel blockers PURDUE PHARMA, L.P. (US) 2020-09-15 US disclosed
US-10196364-B2 Pyrimidine carboxamides as sodium channel blockers PURDUE PHARMA L.P. (US) 2019-02-05 US disclosed
US-10196364-B2 Pyrimidine carboxamides as sodium channel blockers PURDUE PHARMA L.P. (US) 2019-02-05 US disclosed
US-20190002412-A1 PYRIMIDINES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. 2019-01-03 US disclosed
US-20190002412-A1 PYRIMIDINES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. 2019-01-03 US disclosed
US-10059675-B2 Pyrimidines as sodium channel blockers PURDUE PHARMA L.P. (US) 2018-08-28 US disclosed
WO-2014096941-A1 CYCLIC SULFONAMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2014-06-26 WO disclosed
WO-2014096941-A1 CYCLIC SULFONAMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2014-06-26 WO disclosed
US-20140005212-A1 Substituted Pyridines as Sodium Channel Blockers PURDUE PHARMA L.P. (US) 2014-01-02 US disclosed
US-20130303526-A1 Pyridine Compounds and the Uses Thereof PURDUE PHARMA L.P. (US) 2013-11-14 US disclosed
EP-2655330-A1 SUBSTITUTED PYRIDINES AS SODIUM CHANNEL BLOCKERS Purdue Pharma LP (US) 2013-10-30 EP disclosed
WO-2013030665-A1 PYRIMIDINES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2013-03-07 WO disclosed
WO-2013030665-A1 PYRIMIDINES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2013-03-07 WO disclosed
WO-2012085650-A1 SUBSTITUTED PYRIDINES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2012-06-28 WO disclosed
WO-2012085650-A1 SUBSTITUTED PYRIDINES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2012-06-28 WO disclosed
WO-2012035421-A2 PYRIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. (US) 2012-03-22 WO 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 (6 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-10196364-B2 Pyrimidine carboxamides as sodium channel blockers CACNA1A, TRPV1, TRPA1 CA1 1637/4885CA2 204/4885CA9 2224/4885
US-10059675-B2 Pyrimidines as sodium channel blockers P2RX3, CACNA1A, P2RX4 CA1 3183/4885CA2 726/4885CA9 3225/4885
US-20140005212-A1 Substituted Pyridines as Sodium Channel Blockers SCN1B, CACNA1A, SCN1A CA1 1051/4885CA2 216/4885CA9 2122/4885
US-20190002412-A1 PYRIMIDINES AS SODIUM CHANNEL BLOCKERS P2RX3, CACNA1A, P2RX4 CA1 3183/4885CA2 726/4885CA9 3225/4885
US-10774050-B2 Pyrimidines as sodium channel blockers P2RX3, CACNA1A, P2RX4 CA1 3183/4885CA2 726/4885CA9 3225/4885
US-20130303526-A1 Pyridine Compounds and the Uses Thereof TRPV1, CACNA1A, KCNA1 CA1 507/4885CA2 167/4885CA9 1632/4885

“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.