SCHEMBL1809629

SCHEMBL1809629

NS(=O)(=O)c1cccc(C(=O)N2CCC(Oc3cccc(OCC(F)(F)F)c3)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 6/20 0.49
CCR3 P51677 6/20 0.49
MMP13 P45452 1/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.46
MEN1 O00255 1/20 0.46
CA2 P00918 4/20 0.45
CA12 O43570 3/20 0.45
CA1 P00915 3/20 0.45
CA7 P43166 3/20 0.45
CA9 Q16790 3/20 0.45
CA14 Q9ULX7 3/20 0.45
CACNA1B Q00975 1/20 0.45
SLC9A1 P19634 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
SCHEMBL1810459 0.91 HRH1 (0.60) HRH1CCR3MMP13KMT2AGAA
SCHEMBL1810575 0.88 KMT2A (0.54) HRH1CCR3MMP13KMT2AGAA
SCHEMBL1806523 0.88 HRH1 (0.49) HRH1CCR3MMP13KMT2AGAA
SCHEMBL1805552 0.87 CACNA1B (0.56) HRH1CCR3KMT2AMEN1CACNA1B
SCHEMBL1807950 0.87 HRH1 (0.53) HRH1CCR3KMT2AGAAMEN1
SCHEMBL1807988 0.87 CACNA1B (0.56) HRH1CCR3KMT2AGAAMEN1
SCHEMBL1807053 0.86 OPRK1 (0.53) HRH1CCR3MMP13KMT2AGAA
SCHEMBL1807570 0.85 HRH1 (0.54) HRH1CCR3MMP13KMT2AGAA
SCHEMBL1812092 0.83 OPRK1 (0.49) HRH1CCR3MMP13KMT2AGAA
SCHEMBL12188666 0.83 HRH1 (0.54) HRH1CCR3KMT2AGAAMEN1

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 10 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
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 HRH1 819/4885CCR3 2942/4885MMP13 4272/4885

“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.