SCHEMBL1809199

SCHEMBL1809199

CS(=O)(=O)NCCOc1cccc(C(=O)N2CCC(Oc3cccc(OC(F)(F)F)c3)CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.50
MGLL Q99685 2/20 0.49
CACNA1B Q00975 1/20 0.48
KMT2A Q03164 2/20 0.48
PRKAA2 P54646 3/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
F10 P00742 1/20 0.46
MAPK7 Q13164 1/20 0.46
GAA P10253 1/20 0.45
HRH1 P35367 2/20 0.45
CCR3 P51677 2/20 0.45
MEN1 O00255 1/20 0.45
SCN9A Q15858 1/20 0.44
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL1810711 0.88 F10 (0.53) HSD11B1MGLLCACNA1BKMT2APRKAA2
SCHEMBL12188691 0.88 KMT2A (0.51) MGLLKMT2ANPC1RAB9AF10
SCHEMBL12099488 0.87 HSD11B1 (0.52) HSD11B1MGLLCACNA1BKMT2APRKAA2
SCHEMBL1807159 0.86 PRKAA2 (0.45) HSD11B1MGLLCACNA1BPRKAA2NPC1
SCHEMBL12169269 0.85 F10 (0.49) HSD11B1MGLLCACNA1BKMT2APRKAA2
SCHEMBL1808183 0.85 HSD11B1 (0.56) HSD11B1MGLLCACNA1BKMT2APRKAA2
SCHEMBL1808212 0.83 HSD11B1 (0.52) HSD11B1MGLLCACNA1BKMT2APRKAA2
SCHEMBL12099710 0.82 HSD11B1 (0.58) HSD11B1MGLLCACNA1BKMT2APRKAA2
SCHEMBL1811148 0.82 HRH1 (0.62) HSD11B1MGLLCACNA1BKMT2APRKAA2
SCHEMBL1807603 0.81 F10 (0.49) HSD11B1MGLLCACNA1BKMT2APRKAA2

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 9 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-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
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 HSD11B1 2985/4885MGLL 4513/4885CACNA1B 17/4885

“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.