SCHEMBL18586794

SCHEMBL18586794

CC(C)Oc1ccc(-c2cc(C(F)(F)F)ccc2Br)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.43
▸ PIK3CD O00329 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ PIK3CB P42338 1/20 0.39
▸ PI4KA P42356 1/20 0.39
▸ PIK3CG P48736 1/20 0.39
▸ PI4KB Q9UBF8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ TRPV3 Q8NET8 1/20 0.38
▸ ACACB O00763 1/20 0.37
▸ PTGS2 P35354 3/20 0.37
▸ THRB P10828 1/20 0.37
▸ S1PR1 P21453 1/20 0.37
▸ ALOX5AP P20292 2/20 0.36
▸ FEN1 P39748 2/20 0.36
▸ SLC2A1 P11166 1/20 0.36
▸ DYRK3 O43781 1/20 0.36
▸ CCNA2 P20248 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ DYRK1A Q13627 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
SCHEMBL18586921 0.85 PIK3CA (0.44) PDE10APIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL18586771 0.83 MAPK1 (0.45) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL217942 0.77 TSHR (0.50) L3MBTL1ACACBTHRBCYP3A4CYP3A5
SCHEMBL18608563 0.76 FEN1 (0.44) ALOX5APFEN1DYRK1ADYRK2CYP3A4
SCHEMBL18848894 0.73 ALOX5AP (0.48) PDE10APIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL14959744 0.73 ABCB11 (0.47) PTGS2CYP3A4CYP3A5PTGDR2
SCHEMBL13059699 0.72 ABCB11 (0.43) PTGS2ALOX5APFEN1GPBAR1PTGDR2
SCHEMBL18848896 0.70 PIK3CD (0.47) PDE10APIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL31704950 0.70 PDE2A (0.46) PIK3CATRPV3PTGDR2
SCHEMBL8160406 0.70 L3MBTL1 (0.42) L3MBTL1CYP3A4KCNH2

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 8 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
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
US-20180186777-A1 SULFONAMIDE COMPOUNDS AS VOLTAGE-GATED SODIUM CHANNEL MODULATORS LUPIN LIMITED (IN) 2018-07-05 — — US 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
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 PDE10A 681/4885PIK3CD 1533/4885PIK3CA 1233/4885
US-20180186777-A1 SULFONAMIDE COMPOUNDS AS VOLTAGE-GATED SODIUM CHANNEL MODULATORS SCN7A, SCN1A, SCN5A PDE10A 681/4885PIK3CD 1533/4885PIK3CA 1233/4885

“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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