SCHEMBL1807284

SCHEMBL1807284

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 3/20 0.46
EPHX2 P34913 4/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2J2 P51589 2/20 0.45
CACNA1B Q00975 4/20 0.44
MMP2 P08253 1/20 0.44
MMP13 P45452 1/20 0.44
CFD P00746 1/20 0.43
KLK7 P49862 1/20 0.43
HSD11B1 P28845 1/20 0.41
MGLL Q99685 1/20 0.40
SCN9A Q15858 1/20 0.40
HCRTR2 O43614 1/20 0.39
GLS O94925 1/20 0.39
ACACB O00763 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 0.87 EPHX2 (0.50) PRKAA2EPHX2CYP2C9CYP2J2MMP2
SCHEMBL12188638 0.87 EPHX2 (0.45) EPHX2CYP2C9CYP2J2MGLL
SCHEMBL1807159 0.84 PRKAA2 (0.45) PRKAA2EPHX2CYP2C9CYP2J2CACNA1B
SCHEMBL1807578 0.84 MMP2 (0.46) PRKAA2EPHX2CACNA1BMMP2MMP13
SCHEMBL1806217 0.84 EPHX2 (0.47) PRKAA2EPHX2CYP2C9CYP2J2CACNA1B
SCHEMBL1808340 0.83 CACNA1B (0.56) PRKAA2CACNA1BMMP2MMP13HSD11B1
SCHEMBL1805986 0.81 MMP2 (0.48) PRKAA2CACNA1BMMP2MMP13HSD11B1
SCHEMBL1806626 0.81 PRKAA2 (0.50) PRKAA2EPHX2CYP2C9CYP2J2HSD11B1
SCHEMBL1809199 0.79 HSD11B1 (0.50) PRKAA2CACNA1BHSD11B1MGLLSCN9A
SCHEMBL1811392 0.79 KMT2A (0.40) PRKAA2EPHX2CYP2C9CYP2J2CACNA1B

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 PRKAA2 3288/4885EPHX2 2869/4885CYP2C9 924/4885

“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.