SCHEMBL1809202

SCHEMBL1809202

COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC(Oc2cccc(OC(F)(F)F)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.58
▸ CA12 O43570 4/20 0.46
▸ CA1 P00915 4/20 0.46
▸ CA2 P00918 4/20 0.46
▸ CA9 Q16790 4/20 0.46
▸ CA7 P43166 3/20 0.46
▸ CA14 Q9ULX7 2/20 0.46
▸ NPC1 O15118 1/20 0.44
▸ CACNA1B Q00975 2/20 0.44
▸ MAPK7 Q13164 1/20 0.43
▸ PRKAA2 P54646 1/20 0.42
▸ SLC6A9 P48067 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ MCHR1 Q99705 1/20 0.42
▸ CA3 P07451 1/20 0.41
▸ ADRA2A P08913 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ DRD1 P21728 1/20 0.41

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
SCHEMBL12188684 0.87 GAA (0.62) GAACA12CA1CA2CA9
SCHEMBL1809060 0.84 CA12 (0.53) CA12CA1CA2CA9CA7
SCHEMBL1807988 0.83 CACNA1B (0.56) GAACA12CA1CA2CA9
SCHEMBL1807847 0.81 HSD11B1 (0.47) CACNA1BMAPK7PRKAA2KMT2AMCHR1
SCHEMBL1808107 0.81 HSD11B1 (0.47) GAACACNA1BMAPK7PRKAA2MEN1
SCHEMBL1808340 0.78 CACNA1B (0.56) CACNA1BPRKAA2
SCHEMBL1810853 0.76 CACNA1B (0.53) CACNA1BPRKAA2KMT2A
SCHEMBL1805986 0.76 MMP2 (0.48) CACNA1BPRKAA2KMT2A
SCHEMBL1811148 0.76 HRH1 (0.62) GAACACNA1BMAPK7PRKAA2MEN1
SCHEMBL1807578 0.75 MMP2 (0.46) CACNA1BPRKAA2KMT2A

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 GAA 1906/4885CA12 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.

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