SCHEMBL19083934

SCHEMBL19083934

CC(C)COc1ncc(C(C)(C)S)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 18/20 0.41
SCN5A Q14524 10/20 0.41
CYP2C9 P11712 2/20 0.38
CYP3A4 P08684 1/20 0.38
AAK1 Q2M2I8 2/20 0.37
CYP2C8 P10632 1/20 0.36
CYP2B6 P20813 1/20 0.36
CYP2C19 P33261 1/20 0.36
SCN4A P35499 1/20 0.36
SCN2A Q99250 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
SCHEMBL19075622 0.88 SCN9A (0.43) SCN9ASCN5ACYP2C9CYP3A4AAK1
SCHEMBL20697770 0.82 SCN9A (0.40) SCN9ASCN5ACYP2C9CYP3A4AAK1
SCHEMBL15599286 0.76 SCN9A (0.45) SCN9ASCN5ACYP2C9CYP3A4AAK1
SCHEMBL17430826 0.75 SCN9A (0.42) SCN9ASCN5ACYP2C9CYP3A4AAK1
SCHEMBL16858566 0.74 SCN9A (0.44) SCN9ASCN5ACYP2C9CYP3A4
SCHEMBL17244885 0.74 SCN9A (0.44) SCN9ASCN5ACYP2C9CYP3A4
SCHEMBL10324676 0.74 SCN9A (0.44) SCN9ASCN5ACYP2C9CYP3A4
SCHEMBL365208 0.74 SCN9A (0.47) SCN9ASCN5ACYP2C9CYP3A4
SCHEMBL15599250 0.73 SCN9A (0.43) SCN9ASCN5ACYP2C9CYP3A4
SCHEMBL16082402 0.72 SCN9A (0.44) SCN9ASCN5ACYP2C9CYP3A4

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-10005724-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2018-06-26 US disclosed
US-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-07-06 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-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 SCN9A 2337/4885SCN5A 1598/4885CYP2C9 692/4885
US-10005724-B2 Therapeutic compounds and methods of use thereof RDX, C1R, MTX1 SCN9A 2337/4885SCN5A 1598/4885CYP2C9 692/4885

“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.