SCHEMBL20166658

SCHEMBL20166658

CS(=O)(=O)OCCC(F)(F)CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CHRM2 P08172 1/20 0.37
RAB9A P51151 4/20 0.37
NPC1 O15118 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL7872361 0.78 HPGD (0.43) HPGDNPSR1CHRM2RAB9ANPC1
SCHEMBL4714385 0.78 ALDH1A1 (0.46) NPSR1ALDH1A1TSHRGAASMN1; SMN2
SCHEMBL30840811 0.78 ALDH1A1 (0.46) NPSR1ALDH1A1TSHRGAASMN1; SMN2
SCHEMBL27287808 0.77 DRD3 (0.47) CHRM2ALDH1A1
SCHEMBL6716400 0.77 HPGD (0.55) HPGDNPSR1RAB9ANPC1ALDH1A1
SCHEMBL9827776 0.76 GLS (0.50) CHRM2RAB9ANPC1SMN1; SMN2
SCHEMBL25042572 0.75 HPGD (0.50) HPGDNPSR1RAB9ANPC1ALDH1A1
SCHEMBL10954191 0.75 HPGD (0.50) HPGDNPSR1RAB9ANPC1ALDH1A1
SCHEMBL30274324 0.75 HPGD (0.50) HPGDNPSR1RAB9ANPC1ALDH1A1
SCHEMBL9836693 0.75 MAPK1 (0.52) RAB9ANPC1ALDH1A1TSHRGAA

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
EP-3541373-B1 DIAMINO-ALKYLAMINO-LINKED ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME LLC (US) 2023-11-01 EP disclosed
US-10968210-B2 Diamino-alkylamino-linked arylsulfonamide compounds with selective activity in voltage-gated sodium channels MERCK SHARP & DOHME CORP. (US) 2021-04-06 US disclosed
US-20200131167-A1 DIAMINO-ALKYLAMINO-LINKED ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2020-04-30 US disclosed
EP-3541373-A1 DIAMINO-ALKYLAMINO-LINKED ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS Merck Sharp & Dohme Corp. (US) 2019-09-25 EP disclosed
WO-2018093694-A1 DIAMINO-ALKYLAMINO-LINKED ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2018-05-24 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-10968210-B2 Diamino-alkylamino-linked arylsulfonamide compounds with selective activity in voltage-gated sodium channels TRPV1, SCN1A, SCN7A HPGD 2602/4885NPSR1 184/4885CHRM2 640/4885
US-20200131167-A1 DIAMINO-ALKYLAMINO-LINKED ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS TRPV1, SCN1A, SCN7A HPGD 2602/4885NPSR1 184/4885CHRM2 640/4885

“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.