SCHEMBL1809236

SCHEMBL1809236

COc1ccc(C(=O)N2CCC(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.67
CA12 O43570 3/20 0.58
CA1 P00915 3/20 0.58
CA2 P00918 3/20 0.58
CA9 Q16790 3/20 0.58
CA7 P43166 2/20 0.58
CA14 Q9ULX7 2/20 0.58
CRHBP P24387 1/20 0.56
CRHR2 Q13324 1/20 0.56
POLB P06746 2/20 0.56
GAA P10253 1/20 0.56
DRD2 P14416 2/20 0.54
KCNA5 P22460 1/20 0.54
DRD3 P35462 1/20 0.54
HPGD P15428 1/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
GRM3 Q14832 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52

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
SCHEMBL1806612 0.90 CA12 (0.62) MGLLCA12CA1CA2CA9
SCHEMBL1807274 0.86 MGLL (0.64) MGLLCA12CA1CA2CA9
SCHEMBL4771067 0.81 MMP13 (0.52) CA12CA1CA2CA9CA7
SCHEMBL7883722 0.81 KMT2A (0.70) MGLLCA12CA1CA2CA9
SCHEMBL21625275 0.80 MGLL (1.00) MGLLPOLBGAAMEN1KMT2A
SCHEMBL1809057 0.80 MGLL (0.73) MGLLPOLBGAADRD2KCNA5
SCHEMBL1809041 0.79 SCN9A (0.50) MGLLGAA
SCHEMBL1806735 0.79 AHR (0.47) MGLLCA2DRD2DRD3MEN1
SCHEMBL17966724 0.76 MMP13 (0.56) GAAMEN1KMT2AALDH1A1
SCHEMBL1761034 0.76 EPHX2 (0.50) MGLLCA12CA1CA2CA9

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 MGLL 4513/4885CA12 3164/4885CA1 931/4885

“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.