SCHEMBL18587109

SCHEMBL18587109

OCCC#Cc1cc(C(F)(F)F)ccc1Br

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.35
▸ PTPN6 P29350 1/20 0.35
▸ PTPN11 Q06124 1/20 0.35
▸ TAS2R14 Q9NYV8 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ XBP1 P17861 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ GCK P35557 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ GAA P10253 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ CES2 O00748 2/20 0.30

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
SCHEMBL18586815 0.87 ALDH1A1 (0.41) PTPN1PTPN6PTPN11TAS2R14MEN1
SCHEMBL18587034 0.86 PTPN1 (0.33) PTPN1PTPN6PTPN11TAS2R14PTGDR2
SCHEMBL16400389 0.83 CES2 (0.41) MEN1KMT2APTGDR2MAPTGCK
SCHEMBL18608569 0.81 KDM4E (0.34) PTPN1PTPN6PTPN11KMT2APTGDR2
SCHEMBL4058198 0.79 AR (0.46) CES2AR
SCHEMBL18587179 0.77 GCK (0.34) PTPN1PTPN6PTPN11TAS2R14KMT2A
SCHEMBL2955184 0.73 GABRP (0.43) PTPN1CYP3A4CES2GSK3B
SCHEMBL2950490 0.71 FFAR1 (0.49) PTPN1MEN1KMT2APTGDR2CES2
SCHEMBL16950902 0.71 TAS2R14 (0.36) PTPN1PTPN6PTPN11TAS2R14MAPT
SCHEMBL19302890 0.71 ALDH1A1 (0.47) MEN1KMT2AMAPTALDH1A1KDM4E

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 4 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
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 PTPN1 1217/4885PTPN6 1141/4885PTPN11 1040/4885
US-20180186777-A1 SULFONAMIDE COMPOUNDS AS VOLTAGE-GATED SODIUM CHANNEL MODULATORS SCN7A, SCN1A, SCN5A PTPN1 1217/4885PTPN6 1141/4885PTPN11 1040/4885

“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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