SCHEMBL16290948

SCHEMBL16290948

COc1cc(-c2cccc(C(F)(F)F)c2)c(F)cc1B(O)O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 3/20 0.48
▸ AKR1C2 P52895 3/20 0.48
▸ RORB Q92753 3/20 0.47
▸ RORC P51449 1/20 0.46
▸ PTPN5 P54829 1/20 0.45
▸ MGLL Q99685 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ ALOX5AP P20292 1/20 0.41
▸ FEN1 P39748 1/20 0.41
▸ SCN9A Q15858 5/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ NQO2 P16083 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
SCHEMBL16291032 0.87 AKR1C3 (0.48) AKR1C3AKR1C2RORBRORCPTPN5
SCHEMBL16296759 0.85 FYN (0.47) KDM4EALDH1A1HPGD
SCHEMBL16294786 0.81 RORC (0.44) RORBRORCSCN9A
SCHEMBL16290876 0.81 AKR1C3 (0.47) AKR1C3AKR1C2RORBRORCPTPN5
SCHEMBL1133453 0.74 PTPN5 (0.69) AKR1C3AKR1C2RORBRORCPTPN5
SCHEMBL22009314 0.74 PTPN5 (0.54) AKR1C3AKR1C2RORBRORCPTPN5
SCHEMBL16290800 0.74 ERN1 (0.36) SCN9A
SCHEMBL16290723 0.73 MAOA (0.54) AKR1C3AKR1C2RORBRORCNPSR1
SCHEMBL12261034 0.73 MGLL (0.50) AKR1C3AKR1C2PTPN5MGLLALDH1A1
SCHEMBL17752395 0.72 FYN (0.43) CYP3A4KDM4EALDH1A1HPGD

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 18 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
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
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
US-20140371201-A1 BICYCLIC SULFONAMIDE COMPOUNDS AS SODIUM CHANNEL INHIBITORS AMGEN INC. 2014-12-18 — — US disclosed
WO-2014201206-A1 BICYCLIC SULFONAMIDE COMPOUNDS AS SODIUM CHANNEL INHIBITORS AMGEN INC. (US) 2014-12-18 — — 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-20140371201-A1 BICYCLIC SULFONAMIDE COMPOUNDS AS SODIUM CHANNEL INHIBITORS SCN7A, TRPV1, TRPV5 AKR1C3 2494/4885AKR1C2 2609/4885RORB 3394/4885
US-20160046626-A1 BICYCLIC SULFONAMIDE COMPOUNDS AS SODIUM CHANNEL INHIBITORS SCN7A, TRPV1, TRPV5 AKR1C3 2494/4885AKR1C2 2609/4885RORB 3394/4885
US-20160137636-A1 Bicyclic Sulfonamide Compounds as Sodium Channel Inhibitors SCN7A, SCN1A, SCN5A AKR1C3 2350/4885AKR1C2 2132/4885RORB 4085/4885

“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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