SCHEMBL1809710

SCHEMBL1809710

COCCN(C)S(=O)(=O)c1ccccc1C(=O)N1CCC(Oc2cccc(OC(F)(F)F)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.45
MMP13 P45452 2/20 0.45
CACNA1B Q00975 7/20 0.45
KMT2A Q03164 1/20 0.40
PRKAA2 P54646 3/20 0.40
MGLL Q99685 2/20 0.39
ABHD6 Q9BV23 1/20 0.39
HSD11B1 P28845 1/20 0.38
SCN9A Q15858 1/20 0.38
MCHR1 Q99705 1/20 0.38
RAB9A P51151 1/20 0.37

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
SCHEMBL1809650 0.92 CACNA1B (0.46) MMP2MMP13CACNA1BKMT2APRKAA2
SCHEMBL12188613 0.89 KMT2A (0.43) CACNA1BKMT2ARAB9A
SCHEMBL1808255 0.88 CACNA1B (0.49) MMP2MMP13CACNA1BKMT2APRKAA2
SCHEMBL1807794 0.88 CACNA1B (0.45) MMP2MMP13CACNA1BKMT2APRKAA2
SCHEMBL1805986 0.83 MMP2 (0.48) MMP2MMP13CACNA1BKMT2APRKAA2
SCHEMBL12099286 0.83 MMP2 (0.39) MMP2MMP13PRKAA2SCN9AMCHR1
SCHEMBL1808340 0.83 CACNA1B (0.56) MMP2MMP13CACNA1BPRKAA2MGLL
SCHEMBL1805486 0.80 CACNA1B (0.48) MMP2MMP13CACNA1BKMT2A
SCHEMBL12188798 0.80 KMT2A (0.44) CACNA1BKMT2A
SCHEMBL1810904 0.80 PRKAA2 (0.45) MMP2MMP13CACNA1BKMT2APRKAA2

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 MMP2 4156/4885MMP13 4272/4885CACNA1B 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.