SCHEMBL1809650

SCHEMBL1809650

CN(CCO)S(=O)(=O)c1ccccc1C(=O)N1CCC(Oc2cccc(OC(F)(F)F)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 8/20 0.46
MMP2 P08253 1/20 0.44
MMP13 P45452 1/20 0.44
KMT2A Q03164 1/20 0.41
PRKAA2 P54646 2/20 0.40
MGLL Q99685 2/20 0.40
ABHD6 Q9BV23 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.39
HSD11B1 P28845 1/20 0.39
NR1I2 O75469 1/20 0.38
HRH1 P35367 1/20 0.37
CCR3 P51677 1/20 0.37
SCN9A Q15858 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
SCHEMBL1809710 0.92 MMP2 (0.45) CACNA1BMMP2MMP13KMT2APRKAA2
SCHEMBL1808255 0.89 CACNA1B (0.49) CACNA1BMMP2MMP13KMT2APRKAA2
SCHEMBL1807794 0.89 CACNA1B (0.45) CACNA1BMMP2MMP13KMT2APRKAA2
SCHEMBL12188798 0.89 KMT2A (0.44) CACNA1BKMT2AL3MBTL1POLBHRH1
SCHEMBL1805986 0.85 MMP2 (0.48) CACNA1BMMP2MMP13KMT2APRKAA2
SCHEMBL1808340 0.85 CACNA1B (0.56) CACNA1BMMP2MMP13PRKAA2MGLL
SCHEMBL12099536 0.84 L3MBTL1 (0.42) MMP2MMP13KMT2APRKAA2L3MBTL1
SCHEMBL1805486 0.82 CACNA1B (0.48) CACNA1BMMP2MMP13KMT2APOLB
SCHEMBL12188613 0.80 KMT2A (0.43) CACNA1BKMT2APOLBHRH1CCR3
SCHEMBL1811982 0.79 CACNA1B (0.59) CACNA1BMMP2MMP13KMT2ANR1I2

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 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.