SCHEMBL22034873

SCHEMBL22034873

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nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
GRIK1 P39086 2/20 0.31
GRIK2 Q13002 2/20 0.31
TGFBR1 P36897 1/20 0.31
CYP2C19 P33261 1/20 0.30
CPA1 P15085 1/20 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
SCHEMBL22034874 1.00 TSHR (0.32) TSHRGRIK1GRIK2TGFBR1CYP2C19
SCHEMBL22034842 0.84 GRIK1 (0.33) TSHRGRIK1GRIK2
SCHEMBL22034841 0.84 GRIK1 (0.33) TSHRGRIK1GRIK2
SCHEMBL14343139 0.79 GRIK1 (0.32) GRIK1GRIK2CYP2C19CPA1
SCHEMBL22035026 0.77 CA1 (0.46)
SCHEMBL3337869 0.77 TSHR (0.34) TSHRGRIK1GRIK2CYP2C19CPA1
SCHEMBL20189756 0.77 TSHR (0.34) TSHRGRIK1GRIK2CYP2C19CPA1
SCHEMBL24890833 0.74 TSHR (0.32) TSHRGRIK1GRIK2CYP2C19CPA1
SCHEMBL22031610 0.74
SCHEMBL22031609 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220000844-A1 4-AMINO OR 4-ALKOXY-SUBSTITUTED ARYL SULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2022-01-06 US disclosed
EP-3891157-A1 4-AMINO OR 4-ALKOXY-SUBSTITUTED ARYL SULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS Merck Sharp & Dohme Corp. (US) 2021-10-13 EP disclosed
WO-2020117626-A1 4-AMINO OR 4-ALKOXY-SUBSTITUTED ARYL SULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2020-06-11 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 (1 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-20220000844-A1 4-AMINO OR 4-ALKOXY-SUBSTITUTED ARYL SULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS TRPV1, SCN7A, SCN1A TSHR 2358/4885GRIK1 248/4885GRIK2 360/4885

“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.