SCHEMBL18811869

SCHEMBL18811869

COCCn1nc(C(F)(F)F)cc1C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 12/20 0.50
▸ CNR1 P21554 11/20 0.50
▸ TP53 P04637 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MPO P05164 1/20 0.34
▸ TLR7 Q9NYK1 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ HPGD P15428 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
SCHEMBL8270907 0.89 CNR1 (0.53) CNR2CNR1MPOALDH1A1
SCHEMBL17173645 0.82 CNR1 (0.46) CNR2CNR1
SCHEMBL17177770 0.81 TP53 (0.59) TP53L3MBTL1ALDH1A1CYP1A2GAA
SCHEMBL18811870 0.80 CNR2 (0.38) CNR2CNR1TP53L3MBTL1
SCHEMBL12859150 0.78 LMNA (0.39) CNR2CNR1TP53L3MBTL1MPO
SCHEMBL17196467 0.78 L3MBTL1 (0.44) CNR2CNR1TP53L3MBTL1MPO
SCHEMBL18695215 0.77 L3MBTL1 (0.46) CNR2CNR1TP53L3MBTL1MPO
SCHEMBL21089562 0.76 L3MBTL1 (0.42) CNR2CNR1TP53L3MBTL1MPO
SCHEMBL18695253 0.76 TP53 (0.45) CNR2CNR1TP53L3MBTL1MPO
SCHEMBL22637870 0.75 TP53 (0.50) CNR2CNR1TP53L3MBTL1IRAK4

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-9926302-B2 Heteroaryl substituted heterocyclyl sulfones Grünenthal GmbH (DE) 2018-03-27 — — US disclosed
US-9879000-B2 Heteroaryl substituted heterocyclyl sulfones Grünenthal GmbH (DE) 2018-01-30 — — US disclosed
US-20170121314-A1 HETEROARYL SUBSTITUTED HETEROCYCLYL SULFONES Grünenthal GmbH (DE) 2017-05-04 — — 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-20170121314-A1 HETEROARYL SUBSTITUTED HETEROCYCLYL SULFONES TRPV1, CACNA1B, CACNA1C CNR2 100/4885CNR1 115/4885TP53 4169/4885

“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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