SCHEMBL1808340

SCHEMBL1808340

CS(=O)(=O)c1ccccc1C(=O)N1CCC(Oc2cccc(OC(F)(F)F)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 9/20 0.56
MMP2 P08253 1/20 0.50
MMP13 P45452 1/20 0.50
SLC9A1 P19634 1/20 0.49
GPR119 Q8TDV5 1/20 0.46
PRKAA2 P54646 1/20 0.45
CYP3A4 P08684 2/20 0.45
HSD11B1 P28845 1/20 0.45
HRH1 P35367 3/20 0.44
CCR3 P51677 3/20 0.44
EED O75530 1/20 0.44
LMNA P02545 1/20 0.44
MGLL Q99685 1/20 0.44
NR1I2 O75469 2/20 0.44

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
SCHEMBL1805986 0.90 MMP2 (0.48) CACNA1BMMP2MMP13PRKAA2HSD11B1
SCHEMBL1811896 0.89 CACNA1B (0.70) CACNA1BGPR119PRKAA2CYP3A4HSD11B1
SCHEMBL1808255 0.89 CACNA1B (0.49) CACNA1BMMP2MMP13SLC9A1PRKAA2
SCHEMBL1811828 0.89 CACNA1B (0.51) CACNA1BGPR119PRKAA2CYP3A4HSD11B1
SCHEMBL1807672 0.88 CACNA1B (0.65) CACNA1BMMP2MMP13SLC9A1CYP3A4
SCHEMBL1810833 0.87 CACNA1B (0.52) CACNA1BMMP2MMP13SLC9A1GPR119
SCHEMBL1807578 0.85 MMP2 (0.46) CACNA1BMMP2MMP13PRKAA2HSD11B1
SCHEMBL1808091 0.85 MMP2 (0.57) CACNA1BMMP2MMP13HSD11B1HRH1
SCHEMBL1810350 0.85 LMNA (0.47) CACNA1BSLC9A1GPR119HRH1CCR3
SCHEMBL1809650 0.85 CACNA1B (0.46) CACNA1BMMP2MMP13PRKAA2HSD11B1

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 CACNA1B 17/4885MMP2 4156/4885MMP13 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.