SCHEMBL18586803

SCHEMBL18586803

O=CCCc1cc(C(F)(F)F)ccc1Br

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.38
▸ DAO P14920 5/20 0.35
▸ TAS2R14 Q9NYV8 1/20 0.35
▸ PIEZO1 Q92508 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ XBP1 P17861 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ CES2 O00748 2/20 0.32
▸ PTPN1 P18031 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ CYBB P04839 1/20 0.31
▸ NOX3 Q9HBY0 1/20 0.31
▸ NOX4 Q9NPH5 1/20 0.31
▸ NOX1 Q9Y5S8 1/20 0.31
▸ TAAR1 Q96RJ0 2/20 0.31
▸ THRA P10827 1/20 0.31
▸ THRB P10828 1/20 0.31

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
SCHEMBL3408206 0.83 CES2 (0.37) IDO1DAOTAS2R14PIEZO1MAPT
SCHEMBL8226170 0.81 IDO1 (0.54) IDO1DAOTAAR1
SCHEMBL14082696 0.81 CES2 (0.43) IDO1DAOPIEZO1CES2
SCHEMBL8226773 0.80 DAO (0.40) IDO1DAOTAS2R14MAPTTAAR1
SCHEMBL23886964 0.80 MEN1 (0.46) IDO1MAPTCES2THRATHRB
SCHEMBL18586260 0.79 IDO1 (0.39) IDO1DAOTAS2R14PIEZO1MAPT
SCHEMBL27705804 0.79 PTPN1 (0.39) IDO1DAOTAS2R14PIEZO1MAPT
SCHEMBL585296 0.78 IDO1 (0.54) IDO1DAOTAAR1
SCHEMBL23887333 0.78 CYP2C9 (0.39) IDO1MAPTCES2
SCHEMBL3410622 0.77 IDO1 (0.42) IDO1DAOTAS2R14PIEZO1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10239869-B2 Sulfonamide compounds as voltage-gated sodium channel modulators LUPIN LIMITED (IN) 2019-03-26 — — US disclosed
CN-108349957-A Sulfonamide compounds as modulators of voltage-gated sodium channels 鲁平有限公司 2018-07-31 — — CN disclosed
EP-3344621-A1 SULFONAMIDE COMPOUNDS AS VOLTAGE-GATED SODIUM CHANNEL MODULATORS Lupin Limited (IN) 2018-07-11 — — EP disclosed
US-20180186777-A1 SULFONAMIDE COMPOUNDS AS VOLTAGE-GATED SODIUM CHANNEL MODULATORS LUPIN LIMITED (IN) 2018-07-05 — — US disclosed
WO-2017037682-A1 SULFONAMIDE COMPOUNDS AS VOLTAGE-GATED SODIUM CHANNEL MODULATORS LUPIN LIMITED (IN) 2017-03-09 — — 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 (2 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-10239869-B2 Sulfonamide compounds as voltage-gated sodium channel modulators SCN7A, SCN1A, SCN5A IDO1 3662/4885DAO 4247/4885TAS2R14 571/4885
US-20180186777-A1 SULFONAMIDE COMPOUNDS AS VOLTAGE-GATED SODIUM CHANNEL MODULATORS SCN7A, SCN1A, SCN5A IDO1 3662/4885DAO 4247/4885TAS2R14 571/4885

“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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