SCHEMBL121389

SCHEMBL121389

Cn1cc(-c2ccc(C(F)(F)F)cc2)c2ccc(C(=O)O)cc21

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 15/20 0.70
SCN5A Q14524 10/20 0.70
S1PR1 P21453 1/20 0.49
CYP2C8 P10632 1/20 0.48
TEAD1 P28347 1/20 0.47
TEAD4 Q15561 1/20 0.47
TEAD2 Q15562 1/20 0.47
TEAD3 Q99594 1/20 0.47

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
SCHEMBL121689 0.86 SCN9A (0.72) SCN9ASCN5AS1PR1
SCHEMBL19475805 0.86 SCN9A (0.69) SCN9ASCN5A
SCHEMBL23796215 0.86 SCN5A (0.54) SCN9ASCN5ACYP2C8TEAD1TEAD4
SCHEMBL30290067 0.86 SCN5A (0.54) SCN9ASCN5ACYP2C8TEAD1TEAD4
SCHEMBL121650 0.85 IDO1 (0.58) SCN9ASCN5AS1PR1
SCHEMBL121474 0.84 SCN9A (0.68) SCN9ASCN5AS1PR1
SCHEMBL19475849 0.83 SCN9A (1.00) SCN9ASCN5A
SCHEMBL23796079 0.82 SCN5A (0.50) SCN9ASCN5ACYP2C8TEAD1TEAD4
SCHEMBL19475709 0.82 SCN9A (0.70) SCN9ASCN5A
SCHEMBL19475918 0.82 SCN9A (1.00) SCN9ASCN5A

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 95 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10550080-B2 Acyl sulfonamide NaV1.7 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-02-04 US disclosed
US-10550080-B2 Acyl sulfonamide NaV1.7 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-02-04 US disclosed
US-20190119209-A1 ACYL SULFONAMIDE NaV1.7 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-04-25 US disclosed
US-20190119209-A1 ACYL SULFONAMIDE NaV1.7 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-04-25 US disclosed
WO-2017184658-A1 ACYL SULFONAMIDE NaV1.7 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-26 WO disclosed
WO-2017184658-A1 ACYL SULFONAMIDE NaV1.7 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-26 WO disclosed
EP-2611774-B1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-03-18 EP disclosed
US-8962607-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2015-02-24 US disclosed
US-8962607-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2015-02-24 US disclosed
EP-2421823-B1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-01-14 EP disclosed
US-20100324014-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 US disclosed
US-20100324014-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 US disclosed
WO-2010124082-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
WO-2010124112-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
WO-2010124116-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
WO-2010124102-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
WO-2010124119-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
WO-2010124114-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
WO-2010124108-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
WO-2010124086-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 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 (3 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-10550080-B2 Acyl sulfonamide NaV1.7 inhibitors SCN7A, SCN1A, SCN8A SCN9A 10/4885SCN5A 7/4885S1PR1 2387/4885
US-20190119209-A1 ACYL SULFONAMIDE NaV1.7 INHIBITORS SCN7A, SCN1A, SCN8A SCN9A 10/4885SCN5A 7/4885S1PR1 2387/4885
US-20100324014-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA SCN9A 775/4885SCN5A 1495/4885S1PR1 1108/4885

“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.