SCHEMBL1806217

SCHEMBL1806217

CCOC(=O)NCc1ccccc1C(=O)N1CCC(Oc2cccc(OC(F)(F)F)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.47
CYP2C9 P11712 3/20 0.47
CYP2J2 P51589 3/20 0.47
CFD P00746 1/20 0.46
KLK7 P49862 1/20 0.46
POLB P06746 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PRKAA2 P54646 3/20 0.41
GLS O94925 1/20 0.41
TSHR P16473 2/20 0.40
HSD11B1 P28845 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MGLL Q99685 1/20 0.39
SCN9A Q15858 1/20 0.39
MMP2 P08253 1/20 0.39
MMP13 P45452 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CACNA1B Q00975 1/20 0.39

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
SCHEMBL1807787 0.89 EPHX2 (0.50) EPHX2CYP2C9CYP2J2CFDKLK7
SCHEMBL12188782 0.88 KMT2A (0.44) EPHX2CYP2C9CYP2J2POLBMEN1
SCHEMBL16784856 0.85 TSHR (0.44) EPHX2CYP2C9CYP2J2PRKAA2TSHR
SCHEMBL1807284 0.84 PRKAA2 (0.46) EPHX2CYP2C9CYP2J2CFDKLK7
SCHEMBL12169143 0.82 EPHX2 (0.48) EPHX2CYP2C9CYP2J2PRKAA2GLS
SCHEMBL12169269 0.80 F10 (0.49) MEN1KMT2APRKAA2HSD11B1MGLL
SCHEMBL1805986 0.78 MMP2 (0.48) KMT2APRKAA2HSD11B1MGLLMMP2
SCHEMBL1811392 0.78 KMT2A (0.40) EPHX2CYP2C9CYP2J2CFDKLK7
SCHEMBL16784863 0.77 PRKAA2 (0.46) EPHX2POLBMEN1KMT2APRKAA2
SCHEMBL12099450 0.77 EPHX2 (0.44) EPHX2CYP2C9CYP2J2PRKAA2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US claimed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 US claimed
WO-2011058766-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2011-05-19 WO claimed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US disclosed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 US disclosed
WO-2011058766-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2011-05-19 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 (1 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-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN1B, SCN1A, SCN2B EPHX2 2869/4885CYP2C9 924/4885CYP2J2 1105/4885

“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.