SCHEMBL262886

SCHEMBL262886

CCOc1ccc(OC(F)(F)F)c(B(O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.44
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
ATM Q13315 1/20 0.40
PDK2 Q15119 2/20 0.40
NQO1 P15559 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.36
PPARD Q03181 1/20 0.36
ALDH1A1 P00352 2/20 0.36
EPHX1 P07099 1/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1B1 Q16678 1/20 0.35
LTA4H P09960 1/20 0.35
CCR6 P51684 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
KMT2A Q03164 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL29951073 0.88 L3MBTL1 (0.44) L3MBTL1MAPTLMNAATMTSHR
SCHEMBL29956388 0.88 L3MBTL1 (0.44) L3MBTL1MAPTLMNAATMPDK2
SCHEMBL3786075 0.83 KDM4E (0.49) MAPTNQO1KDM4ETSHRALDH1A1
SCHEMBL263475 0.82 TUBB4A (0.43) L3MBTL1MAPTALDH1A1MEN1NPC1
SCHEMBL10034992 0.79 PPARD (0.44) L3MBTL1MAPTLMNAATMPDK2
SCHEMBL22208481 0.78 L3MBTL1 (0.44) L3MBTL1LMNANQO1KDM4ETSHR
SCHEMBL31697241 0.78 L3MBTL1 (0.44) L3MBTL1LMNANQO1KDM4ETSHR
SCHEMBL16957460 0.78 L3MBTL1 (0.44) L3MBTL1MAPTLMNAATMPDK2
SCHEMBL16959248 0.78 KDM4E (0.45) L3MBTL1MAPTLMNAATMPDK2
SCHEMBL16082158 0.78 SCN9A (0.45) L3MBTL1MAPTLMNAATMNQO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2183241-B1 2-PYRIDINE CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS PFIZER LTD (GB) 2012-12-19 EP disclosed
US-8134007-B2 Pyridine derivatives PFIZER INC. (US) 2012-03-13 US disclosed
US-8134007-B2 Pyridine derivatives PFIZER INC. (US) 2012-03-13 US disclosed
US-8134007-B2 Pyridine derivatives PFIZER INC. (US) 2012-03-13 US disclosed
US-20100227872-A1 PYRAZINE DERIVATIVES KEMP MARK IAN 2010-09-09 US disclosed
US-20100227872-A1 PYRAZINE DERIVATIVES KEMP MARK IAN 2010-09-09 US disclosed
US-20100227872-A1 PYRAZINE DERIVATIVES KEMP MARK IAN 2010-09-09 US disclosed
EP-2183241-A2 2-PYRIDINE CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS Pfizer Limited (GB) 2010-05-12 EP disclosed
EP-2155727-A1 N-[6-AMINO-5-(PHENYL)PYRAZIN-2-YL]-ISOXAZOLE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS NAV1.8 CHANNEL MODULATORS FOR THE TREATMENT OF PAIN Pfizer Limited (GB) 2010-02-24 EP disclosed
US-20090048306-A1 PYRIDINE DERIVATIVES PFIZER, INC. (US) 2009-02-19 US disclosed
US-20090048306-A1 PYRIDINE DERIVATIVES PFIZER, INC. (US) 2009-02-19 US disclosed
US-20090048306-A1 PYRIDINE DERIVATIVES PFIZER, INC. (US) 2009-02-19 US disclosed
WO-2008135830-A1 N- [6-AMINO-S- (PHENYL) PYRAZIN-2-YL] -ISOXAZOLE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS NAV1.8 CHANNEL MODULATORS FOR THE TREATMENT OF PAIN PFIZER LIMITED (GB) 2008-11-13 WO disclosed
WO-2008135830-A1 N- [6-AMINO-S- (PHENYL) PYRAZIN-2-YL] -ISOXAZOLE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS NAV1.8 CHANNEL MODULATORS FOR THE TREATMENT OF PAIN PFIZER LIMITED (GB) 2008-11-13 WO disclosed
WO-2008135826-A2 2 -PYRIDINE CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS PFIZER LIMITED (GB) 2008-11-13 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-20100227872-A1 PYRAZINE DERIVATIVES CYP3A5, TRPV5, TRPV1 L3MBTL1 4717/4885MAPT 1115/4885LMNA 3239/4885
US-20090048306-A1 PYRIDINE DERIVATIVES SDHA, P2RX4, P2RX3 L3MBTL1 4806/4885MAPT 1692/4885LMNA 3154/4885

“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.