SCHEMBL14746387

SCHEMBL14746387

CC1(C)OB(c2ccc(Oc3ccc4c(c3)OCO4)cc2)OC1(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
MAPK1 P28482 1/20 0.55
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
LPL P06858 5/20 0.41
LIPG Q9Y5X9 5/20 0.41
MMP13 P45452 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAOB P27338 5/20 0.39
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP14 P50281 1/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL3148663 0.83 LPL (0.44) ALDH1A1CA1CA2CA9LPL
SCHEMBL30544472 0.83 LPL (0.44) ALDH1A1CA1CA2CA9LPL
SCHEMBL31217258 0.83 ALDH1A1 (0.43) ALDH1A1MAPK1CA1CA2CA9
SCHEMBL5243207 0.81 CA1 (0.61) CA1CA2CA9LPLLIPG
SCHEMBL6165864 0.78 ALDH1A1 (0.78) ALDH1A1MAPK1MMP13NPC1RAB9A
SCHEMBL25981483 0.77 LPL (0.40) ALDH1A1MAPK1CA1CA2CA9
SCHEMBL257873 0.75 ALDH1A1 (0.69) ALDH1A1MAPK1MMP13NPC1RAB9A
SCHEMBL623833 0.75 CA1 (0.54) ALDH1A1CA1CA2CA9LPL
SCHEMBL25658494 0.75 CA1 (0.54) CA1CA2CA9LPLLIPG
SCHEMBL5899727 0.75 LPL (0.65) CA1CA2CA9LPLLIPG

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 44 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
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
EP-2964639-B1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA LP (US) 2018-05-02 EP disclosed
US-9163008-B2 Pyrimidines as sodium channel blockers PURDUE PHARMA, L.P. (US) 2015-10-20 US disclosed
US-9163008-B2 Pyrimidines as sodium channel blockers PURDUE PHARMA, L.P. (US) 2015-10-20 US disclosed
US-9163008-B2 Pyrimidines as sodium channel blockers PURDUE PHARMA, L.P. (US) 2015-10-20 US disclosed
US-20140303139-A1 PYRIMIDINES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. 2014-10-09 US disclosed
US-20140303139-A1 PYRIMIDINES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. 2014-10-09 US disclosed
US-20140303139-A1 PYRIMIDINES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. 2014-10-09 US disclosed
WO-2014135955-A1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2014-09-12 WO disclosed
WO-2014135955-A1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2014-09-12 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 ALDH1A1 1063/4885MAPK1 3702/4885CA1 1637/4885
US-10059675-B2 Pyrimidines as sodium channel blockers P2RX3, CACNA1A, P2RX4 ALDH1A1 668/4885MAPK1 3105/4885CA1 3183/4885
US-20190002412-A1 PYRIMIDINES AS SODIUM CHANNEL BLOCKERS P2RX3, CACNA1A, P2RX4 ALDH1A1 668/4885MAPK1 3105/4885CA1 3183/4885
US-10774050-B2 Pyrimidines as sodium channel blockers P2RX3, CACNA1A, P2RX4 ALDH1A1 668/4885MAPK1 3105/4885CA1 3183/4885
US-20140303139-A1 PYRIMIDINES AS SODIUM CHANNEL BLOCKERS P2RX1, P2RX4, P2RX2 ALDH1A1 531/4885MAPK1 3251/4885CA1 2573/4885

“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.