SCHEMBL23308873

SCHEMBL23308873

O=S(=O)(S)Nc1ccncn1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SCN1A P35498 4/20 0.38
▸ SCN5A Q14524 4/20 0.38
▸ SCN8A Q9UQD0 4/20 0.38
▸ SCN9A Q15858 13/20 0.37
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNB4 P30926 1/20 0.36
▸ CHRNA3 P32297 1/20 0.36
▸ CHRNA4 P43681 1/20 0.36
▸ SLC22A12 Q96S37 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HTT P42858 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
SCHEMBL14080696 0.80 HSP90AA1 (0.40) SCN1ASCN5ASCN8ASCN9ACHRNB2
SCHEMBL20333513 0.80 PIK3CD (0.41) SCN1ASCN5ASCN8ASCN9ASLC22A12
SCHEMBL22984858 0.79 SCN9A (0.37) SCN1ASCN5ASCN8ASCN9ACHRNB2
SCHEMBL23872895 0.77 HPGD (0.47) SCN1ASCN5ASCN8ASCN9ACYP1A2
SCHEMBL20330202 0.76 SCN1A (0.43) SCN1ASCN5ASCN8ASCN9ACYP1A2
SCHEMBL21790175 0.76 SCN1A (0.38) SCN1ASCN5ASCN8ASCN9ACYP1A2
SCHEMBL31678766 0.74 PTGS1 (0.44) SCN1ASCN5ASCN8ASCN9A
SCHEMBL30339221 0.74 PTGS1 (0.44) SCN1ASCN5ASCN8ASCN9A
SCHEMBL1094173 0.74 POLB (0.55) SCN9ASMN1; SMN2
SCHEMBL23308872 0.73 TSHR (0.59) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210122733-A1 AMINO COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. 2021-04-29 — — 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 (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-20210122733-A1 AMINO COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS CFD, TFPI, CFH SCN1A 1368/4885SCN5A 2363/4885SCN8A 2346/4885

“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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