SCHEMBL21789532

SCHEMBL21789532

CC(S)c1ccc(C(C)(C)C)cn1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CACNA1I Q9P0X4 1/20 0.36
▸ TSHR P16473 2/20 0.33
▸ KIF11 P52732 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TYR P14679 1/20 0.32
▸ ALOX5AP P20292 1/20 0.32
▸ DGAT1 O75907 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ TP53 P04637 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
SCHEMBL855236 0.83 CACNA1I (0.38) CACNA1ITSHRKIF11LMNATYR
SCHEMBL20457815 0.80 CACNA1I (0.36) CACNA1ITSHRKIF11LMNATYR
SCHEMBL2693246 0.80 PDE2A (0.36) CACNA1ITSHRKIF11LMNATYR
SCHEMBL20228078 0.80 CACNA1I (0.36) CACNA1ITSHRKIF11LMNATYR
SCHEMBL14946753 0.80 CACNA1I (0.42) CACNA1ITSHRKIF11LMNATYR
SCHEMBL24636032 0.80 CACNA1I (0.36) CACNA1ITSHRKIF11LMNATYR
SCHEMBL14946815 0.78 LMNA (0.38) CACNA1ITSHRKIF11LMNATYR
SCHEMBL12724966 0.78 ALOX5AP (0.36) CACNA1ITSHRKIF11LMNATYR
SCHEMBL25884709 0.77 CACNA1I (0.35) CACNA1ITSHRKIF11LMNATYR
SCHEMBL12915235 0.76 TSHR (0.33) CACNA1ITSHRKIF11LMNATYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752623-B2 Heteroaryl-substituted sulfonamide compounds and their use as sodium channel inhibitors XENON PHARMACEUTICALS INC. (CA) 2020-08-25 — — US disclosed
US-20200071313-A1 HETEROARYL-SUBSTITUTED SULFONAMIDE COMPOUNDS AND THEIR USE AS SODIUM CHANNEL INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2020-03-05 — — US 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-20200071313-A1 HETEROARYL-SUBSTITUTED SULFONAMIDE COMPOUNDS AND THEIR USE AS SODIUM CHANNEL INHIBITORS SCN1A, SCN2A, SCN2B CACNA1I 15/4885TSHR 2889/4885KIF11 3602/4885
US-10752623-B2 Heteroaryl-substituted sulfonamide compounds and their use as sodium channel inhibitors SCN1A, SCN2A, SCN2B CACNA1I 15/4885TSHR 2889/4885KIF11 3602/4885

“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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