SCHEMBL16290972

SCHEMBL16290972

COc1cc(-c2cccc(Cl)c2)cc(F)c1B(O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 1/20 0.41
▸ TSHR P16473 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CYP1A1 P04798 2/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP1B1 Q16678 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ERN1 O75460 3/20 0.39
▸ ESR2 Q92731 1/20 0.38
▸ ALOX5 P09917 1/20 0.37
▸ MAPK10 P53779 1/20 0.37
▸ RORC P51449 2/20 0.37
▸ RORB Q92753 2/20 0.37
▸ PDGFRB P09619 1/20 0.37
▸ KIT P10721 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ TP53 P04637 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
SCHEMBL16290631 0.78 TSHR (0.43) FYNTSHRMAPTNPC1SMN1; SMN2
SCHEMBL16306391 0.78 TSHR (0.43) FYNTSHRMAPTNPC1SMN1; SMN2
SCHEMBL29180725 0.77 ERN1 (0.42) MAPTNPC1MEN1KMT2AERN1
SCHEMBL16303540 0.76 TSHR (0.43) FYNTSHRMAPTNPC1SMN1; SMN2
SCHEMBL16294786 0.75 RORC (0.44) FYNCYP1A1CYP1A2CYP1B1MAPK10
SCHEMBL31262488 0.70 ENPP2 (0.36) MAPTCYP1A2MEN1KMT2AERN1
SCHEMBL519872 0.70 ENPP2 (0.50) TSHRMAPTNPC1SMN1; SMN2KMT2A
SCHEMBL31262486 0.70 ENPP2 (0.36) MAPTCYP1A2MEN1KMT2AERN1
SCHEMBL29429847 0.70 ENPP2 (0.50) TSHRMAPTNPC1SMN1; SMN2KMT2A
SCHEMBL3790825 0.70 CTSA (0.44) TSHRMAPTNPC1SMN1; SMN2MEN1

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 6 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-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-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-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 FYN 818/4885TSHR 4247/4885MAPT 2509/4885
US-20160046626-A1 BICYCLIC SULFONAMIDE COMPOUNDS AS SODIUM CHANNEL INHIBITORS SCN7A, TRPV1, TRPV5 FYN 818/4885TSHR 4247/4885MAPT 2509/4885
US-20160137636-A1 Bicyclic Sulfonamide Compounds as Sodium Channel Inhibitors SCN7A, SCN1A, SCN5A FYN 1238/4885TSHR 4243/4885MAPT 3282/4885

“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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