SCHEMBL2714015

SCHEMBL2714015

Cc1cc(C(=O)O)cnc1OCC(F)(F)C(F)F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CFTR P13569 3/20 0.42
MAPK1 P28482 2/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SCN9A Q15858 5/20 0.37
SSTR4 P31391 2/20 0.36
AAK1 Q2M2I8 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 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
SCHEMBL2716486 0.89 MAPK1 (0.41) ALDH1A1NPSR1CFTRMAPK1KMT2A
SCHEMBL21078902 0.88 AAK1 (0.39) ALDH1A1L3MBTL1SSTR4AAK1CYP2C9
SCHEMBL27931880 0.87 MAPK1 (0.42) ALDH1A1NPSR1CFTRMAPK1KMT2A
SCHEMBL2715676 0.86 L3MBTL1 (0.54) ALDH1A1MAPK1L3MBTL1SCN9ASSTR4
SCHEMBL15350265 0.85 L3MBTL1 (0.42) L3MBTL1SCN9ASSTR4AAK1CYP2C9
SCHEMBL21078799 0.85 L3MBTL1 (0.42) L3MBTL1SCN9ASSTR4AAK1CYP2C9
SCHEMBL15351060 0.84 SCN9A (0.47) ALDH1A1NPSR1CFTRMAPK1KMT2A
SCHEMBL2714723 0.83 SCN9A (0.37) ALDH1A1CFTRMAPK1KMT2AMEN1
SCHEMBL21078750 0.81 L3MBTL1 (0.40) L3MBTL1SCN9ASSTR4AAK1CYP2C9
SCHEMBL2714128 0.80 SCN9A (0.39) ALDH1A1L3MBTL1SCN9ACYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2841421-B1 AMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2019-06-05 EP disclosed
EP-2841421-B1 AMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2019-06-05 EP disclosed
US-9944634-B2 Pyrazolopyridine derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2018-04-17 US disclosed
EP-2914597-B1 PYRAZOLOPYRIDINE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2017-12-06 EP disclosed
EP-2841435-B1 PYRROLOPYRIDINONE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2017-09-06 EP disclosed
US-9701658-B2 Amide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2017-07-11 US disclosed
US-9701658-B2 Amide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2017-07-11 US disclosed
US-9701658-B2 Amide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2017-07-11 US disclosed
EP-2630122-B1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2016-11-30 EP disclosed
US-9302991-B2 Arylamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2016-04-05 US disclosed
US-20150105393-A1 AMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2015-04-16 US disclosed
US-20150094306-A1 PYRROLOPYRIDINONE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2015-04-02 US disclosed
EP-2841421-A1 AMIDE DERIVATIVES AS TTX-S BLOCKERS RaQualia Pharma Inc (JP) 2015-03-04 EP disclosed
EP-2841435-A1 PYRROLOPYRIDINONE DERIVATIVES AS TTX-S BLOCKERS RaQualia Pharma Inc (JP) 2015-03-04 EP disclosed
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US disclosed
WO-2014068988-A1 PYRAZOLOPYRIDINE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-05-08 WO disclosed
WO-2013161312-A1 PYRROLOPYRIDINONE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2013-10-31 WO disclosed
WO-2013161308-A1 AMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2013-10-31 WO disclosed
EP-2630122-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RaQualia Pharma Inc (JP) 2013-08-28 EP disclosed
WO-2012053186-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 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 (3 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-20150105393-A1 AMIDE DERIVATIVES AS TTX-S BLOCKERS SCN1B, SCN5A, SCN1A ALDH1A1 2669/4885NPSR1 545/4885CFTR 291/4885
US-20150094306-A1 PYRROLOPYRIDINONE DERIVATIVES AS TTX-S BLOCKERS SCN5A, SCN1B, SCN1A ALDH1A1 2675/4885NPSR1 482/4885CFTR 314/4885
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN2B, SCN1B, SCN2A ALDH1A1 1358/4885NPSR1 391/4885CFTR 245/4885

“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.