SCHEMBL787274

SCHEMBL787274

CC(C)(O)C(C)(C)OB(O)Oc1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 6/20 0.36
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
SOS1 Q07889 1/20 0.33
HSPB1 P04792 1/20 0.33
SCN9A Q15858 3/20 0.32
FPR2 P25090 2/20 0.32
ELANE P08246 1/20 0.32
PPARA Q07869 3/20 0.30
LTA4H P09960 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
PPARG P37231 2/20 0.30
PPARD Q03181 2/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30

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
SCHEMBL29266605 0.76 ORAI1 (0.32) ALDH1A1
SCHEMBL29222009 0.74 ORAI1 (0.37) SCN4AMMP1MMP2MMP9MMP13
SCHEMBL6403283 0.73 ORAI1 (0.46) SOS1HSPB1ALDH1A1
SCHEMBL17101176 0.73 GAA (0.41) HSPB1KDM4EALDH1A1
SCHEMBL16892565 0.73 PPARG (0.36) PPARALTA4HPPARG
SCHEMBL28085559 0.72 SOS1 (0.44) SCN4AMMP1MMP2MMP9MMP13
SCHEMBL10224510 0.70 SCN4A (0.36) SCN4AMMP1MMP2MMP9MMP13
SCHEMBL2859722 0.70 CYP3A4 (0.41) ALDH1A1
SCHEMBL38659626 0.69 ORAI1 (0.32) ALDH1A1HPGD
SCHEMBL6004752 0.67 KCNH2 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3590925-B1 PYRIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA LP (US) 2022-03-30 EP disclosed
EP-2616441-B1 PYRIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA LP (US) 2019-08-07 EP disclosed
US-9611222-B2 Pyridine compounds and the uses thereof PURDUE PHARMA L.P. (US) 2017-04-04 US disclosed
US-20150259293-A1 PYRIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. 2015-09-17 US disclosed
US-9056832-B2 Pyridine compounds and the users thereof PURDUE PHARMA L.P. (US) 2015-06-16 US disclosed
US-20130303526-A1 Pyridine Compounds and the Uses Thereof PURDUE PHARMA L.P. (US) 2013-11-14 US disclosed
EP-2616441-A2 PYRIDINE COMPOUNDS AND THE USES THEREOF Purdue Pharma LP (US) 2013-07-24 EP 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 (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-20150259293-A1 PYRIDINE COMPOUNDS AND THE USES THEREOF TRPV1, CACNA1A, KCNA1 SCN4A 53/4885MMP1 2940/4885MMP2 4229/4885
US-20130303526-A1 Pyridine Compounds and the Uses Thereof TRPV1, CACNA1A, KCNA1 SCN4A 53/4885MMP1 2940/4885MMP2 4229/4885

“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.