SCHEMBL1807159

SCHEMBL1807159

CS(=O)(=O)NCCOc1ccccc1C(=O)N1CCC(Oc2cccc(OC(F)(F)F)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 3/20 0.45
CACNA1B Q00975 5/20 0.44
LMNA P02545 2/20 0.42
MMP2 P08253 1/20 0.42
MMP13 P45452 1/20 0.42
HSD11B1 P28845 2/20 0.41
CYP2C9 P11712 2/20 0.41
EPHX2 P34913 2/20 0.41
CYP2J2 P51589 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MGLL Q99685 1/20 0.40
SCN9A Q15858 1/20 0.40
CYP3A4 P08684 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 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
SCHEMBL1807766 0.88 PRKAA2 (0.48) PRKAA2CACNA1BHSD11B1CYP2C9EPHX2
SCHEMBL12188789 0.88 LMNA (0.44) LMNAEPHX2NPC1RAB9AALDH1A1
SCHEMBL12099450 0.87 EPHX2 (0.44) PRKAA2CACNA1BHSD11B1CYP2C9EPHX2
SCHEMBL1809199 0.86 HSD11B1 (0.50) PRKAA2CACNA1BLMNAHSD11B1NPC1
SCHEMBL1810904 0.86 PRKAA2 (0.45) PRKAA2CACNA1BMMP2MMP13HSD11B1
SCHEMBL16784856 0.85 TSHR (0.44) PRKAA2CACNA1BHSD11B1CYP2C9EPHX2
SCHEMBL1807284 0.84 PRKAA2 (0.46) PRKAA2CACNA1BMMP2MMP13HSD11B1
SCHEMBL1807578 0.83 MMP2 (0.46) PRKAA2CACNA1BMMP2MMP13HSD11B1
SCHEMBL1808709 0.82 CACNA1B (0.46) PRKAA2CACNA1BHSD11B1CYP2C9EPHX2
SCHEMBL1805436 0.82 PRKAA2 (0.40) PRKAA2CACNA1BHSD11B1CYP2C9EPHX2

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 3288/4885CACNA1B 17/4885LMNA 3683/4885

“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.