SCHEMBL16290840

SCHEMBL16290840

COc1ccc(F)c(-c2cc(F)cc(C=O)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 4/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ CYP2A6 P11509 1/20 0.43
▸ FFAR1 O14842 3/20 0.40
▸ NFE2L2 Q16236 4/20 0.39
▸ CHRM2 P08172 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ TRIM24 O15164 1/20 0.37
▸ TYR P14679 1/20 0.37
▸ TRIM33 Q9UPN9 1/20 0.37
▸ CYP1A1 P04798 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP1B1 Q16678 1/20 0.37
▸ IDH2 P48735 1/20 0.36

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
SCHEMBL16290745 0.84 FFAR1 (0.44) ERN1ALDH1A1FFAR1NFE2L2CYP1A2
SCHEMBL15972467 0.83 ALDH1A1 (0.56) ERN1ALDH1A1CYP2A6FFAR1NFE2L2
SCHEMBL16290691 0.78 CYP17A1 (0.42) ALDH1A1FFAR1CYP1A2IDH2
SCHEMBL16290614 0.75 CTSA (0.42) FFAR1IDH2
SCHEMBL17752396 0.75 GPBAR1 (0.43) FFAR1IDH2
SCHEMBL18002285 0.74 ERN1 (0.33) ERN1
SCHEMBL16180523 0.73 KDM1A (0.47) ERN1ALDH1A1CYP2A6NFE2L2RELA
SCHEMBL2600019 0.73 NQO2 (0.48) ERN1ALDH1A1CYP2A6NFE2L2RELA
SCHEMBL16290603 0.73 CYP1A1 (0.50) ALDH1A1CYP2A6FFAR1NFE2L2RELA
SCHEMBL12221583 0.72 ALDH1A1 (0.46) ERN1ALDH1A1CYP2A6NFE2L2CHRM2

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9776995-B2 Bicyclic sulfonamide compounds as sodium channel inhibitors AMGEN INC. (US) 2017-10-03 — — US disclosed
US-9776995-B2 Bicyclic sulfonamide compounds as sodium channel inhibitors AMGEN INC. (US) 2017-10-03 — — US disclosed
US-9776995-B2 Bicyclic sulfonamide compounds as sodium channel inhibitors AMGEN INC. (US) 2017-10-03 — — US disclosed
US-9458152-B2 Bicyclic sulfonamide compounds as sodium channel inhibitors AMGEN INC. (US) 2016-10-04 — — US disclosed
US-9458152-B2 Bicyclic sulfonamide compounds as sodium channel inhibitors AMGEN INC. (US) 2016-10-04 — — US disclosed
US-9458152-B2 Bicyclic sulfonamide compounds as sodium channel inhibitors AMGEN INC. (US) 2016-10-04 — — US disclosed
US-20160137636-A1 Bicyclic Sulfonamide Compounds as Sodium Channel Inhibitors AMGEN INC. 2016-05-19 — — US disclosed
US-20160137636-A1 Bicyclic Sulfonamide Compounds as Sodium Channel Inhibitors AMGEN INC. 2016-05-19 — — US disclosed
US-20160137636-A1 Bicyclic Sulfonamide Compounds as Sodium Channel Inhibitors AMGEN INC. 2016-05-19 — — US disclosed
EP-3008057-A1 BICYCLIC SULFONAMIDE COMPOUNDS AS SODIUM CHANNEL INHIBITORS Amgen Inc. (US) 2016-04-20 — — EP disclosed
US-20160046626-A1 BICYCLIC SULFONAMIDE COMPOUNDS AS SODIUM CHANNEL INHIBITORS AMGEN INC. 2016-02-18 — — US disclosed
US-9212182-B2 Bicyclic sulfonamide compounds as sodium channel inhibitors AMGEN INC. (US) 2015-12-15 — — US disclosed
US-9212182-B2 Bicyclic sulfonamide compounds as sodium channel inhibitors AMGEN INC. (US) 2015-12-15 — — US disclosed
US-9212182-B2 Bicyclic sulfonamide compounds as sodium channel inhibitors AMGEN INC. (US) 2015-12-15 — — US disclosed
US-20140371201-A1 BICYCLIC SULFONAMIDE COMPOUNDS AS SODIUM CHANNEL INHIBITORS AMGEN INC. 2014-12-18 — — US disclosed
US-20140371201-A1 BICYCLIC SULFONAMIDE COMPOUNDS AS SODIUM CHANNEL INHIBITORS AMGEN INC. 2014-12-18 — — US disclosed
WO-2014201173-A1 BICYCLIC SULFONAMIDE COMPOUNDS AS SODIUM CHANNEL INHIBITORS AMGEN INC. (US) 2014-12-18 — — WO disclosed
WO-2014201206-A1 BICYCLIC SULFONAMIDE COMPOUNDS AS SODIUM CHANNEL INHIBITORS AMGEN INC. (US) 2014-12-18 — — WO disclosed
WO-2014201173-A1 BICYCLIC SULFONAMIDE COMPOUNDS AS SODIUM CHANNEL INHIBITORS AMGEN INC. (US) 2014-12-18 — — WO disclosed
US-20140371201-A1 BICYCLIC SULFONAMIDE COMPOUNDS AS SODIUM CHANNEL INHIBITORS AMGEN INC. 2014-12-18 — — US 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-20140371201-A1 BICYCLIC SULFONAMIDE COMPOUNDS AS SODIUM CHANNEL INHIBITORS SCN7A, TRPV1, TRPV5 ERN1 3157/4885ALDH1A1 2216/4885CYP2A6 1400/4885
US-20160046626-A1 BICYCLIC SULFONAMIDE COMPOUNDS AS SODIUM CHANNEL INHIBITORS SCN7A, TRPV1, TRPV5 ERN1 3157/4885ALDH1A1 2216/4885CYP2A6 1400/4885
US-20160137636-A1 Bicyclic Sulfonamide Compounds as Sodium Channel Inhibitors SCN7A, SCN1A, SCN5A ERN1 3722/4885ALDH1A1 1463/4885CYP2A6 1100/4885

“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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