SCHEMBL15599341

SCHEMBL15599341

Cc1cnc(OCC(F)(F)C(F)F)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 10/20 0.44
SSTR4 P31391 1/20 0.42
MAPK1 P28482 1/20 0.42
AAK1 Q2M2I8 5/20 0.37
CFTR P13569 2/20 0.36
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL23677166 0.90 SSTR4 (0.41) SCN9ASSTR4MAPK1AAK1CYP1A2
SCHEMBL17247992 0.84 MAPK1 (0.43) SCN9ASSTR4MAPK1AAK1CFTR
SCHEMBL17428846 0.84 SSTR4 (0.45) SCN9ASSTR4AAK1CYP1A2CYP3A4
SCHEMBL23677235 0.84 SSTR4 (0.40) SCN9ASSTR4AAK1
SCHEMBL15599218 0.83 SSTR4 (0.47) SSTR4AAK1CYP1A2CYP3A4CYP2C19
SCHEMBL15599257 0.82 MAPK1 (0.43) SCN9AMAPK1AAK1CFTR
SCHEMBL17244897 0.82 SCN9A (0.42) SCN9AMAPK1AAK1
SCHEMBL23677211 0.82 SCN9A (0.49) SCN9AMAPK1CFTRCYP1A2CYP3A4
SCHEMBL19075640 0.82 SCN9A (0.42) SCN9AMAPK1CYP1A2CYP3A4CYP2C19
SCHEMBL17248007 0.82 SSTR4 (0.46) SCN9ASSTR4MAPK1AAK1CFTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3854782-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF Genentech, Inc. (US) 2021-07-28 EP disclosed
EP-3166939-B1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH INC (US) 2019-06-05 EP disclosed
EP-2970156-B1 SUBSTITUTED BENZOXAZOLES AND METHODS OF USE THEREOF GENENTECH INC (US) 2018-07-25 EP disclosed
WO-2017172802-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-10-05 WO disclosed
US-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-07-06 US disclosed
WO-2014008458-A2 N-SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2014-01-09 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-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 SCN9A 2337/4885SSTR4 1035/4885MAPK1 4290/4885

“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.