SCHEMBL16894178

SCHEMBL16894178

NCc1cc(N2CCC(F)(F)CC2)ncn1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 4/20 0.45
TRPA1 O75762 1/20 0.43
AKT1 P31749 2/20 0.40
LRRK2 Q5S007 9/20 0.39
DPP4 P27487 2/20 0.39
GRM2 Q14416 1/20 0.36
HRH4 Q9H3N8 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
SCHEMBL19290966 0.84 HRH4 (0.51) TRPA1LRRK2DPP4HRH4
SCHEMBL16906683 0.76 LRRK2 (0.43) TRPA1LRRK2DPP4HRH4
SCHEMBL16894257 0.76 OGA (0.43) TRPA1AKT1LRRK2DPP4
SCHEMBL16635197 0.75 LOXL2 (0.50) LOXL2TRPA1HRH4
SCHEMBL16903679 0.73 LRRK2 (0.44) TRPA1LRRK2DPP4
SCHEMBL16894243 0.72 P4HTM (0.45) LRRK2
Hydrochloric Acid SCHEMBL16635278 0.72 TRPA1 (0.42) TRPA1GRM2
SCHEMBL22119280 0.68 OPRD1 (0.54)
SCHEMBL17979398 0.68 LOXL2 (0.40) LOXL2LRRK2DPP4HRH4
SCHEMBL18362065 0.67 LOXL2 (0.67) LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900642-B1 SUBSTITUTED SULFONAMIDE COMPOUNDS HOFFMANN LA ROCHE (CH) 2018-02-28 EP disclosed
EP-2900642-B1 SUBSTITUTED SULFONAMIDE COMPOUNDS HOFFMANN LA ROCHE (CH) 2018-02-28 EP disclosed
US-9580411-B2 Substituted sulfonamide compounds HOFFMANN-LA ROCHE INC. (US) 2017-02-28 US disclosed
US-9580411-B2 Substituted sulfonamide compounds HOFFMANN-LA ROCHE INC. (US) 2017-02-28 US disclosed
US-9580411-B2 Substituted sulfonamide compounds HOFFMANN-LA ROCHE INC. (US) 2017-02-28 US disclosed
EP-2900642-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2015-08-05 EP disclosed
US-20150197509-A1 SUBSTITUTED SULFONAMIDE SOLUTIONS GENENTECH, INC. (US) 2015-07-16 US disclosed
US-20150197509-A1 SUBSTITUTED SULFONAMIDE SOLUTIONS GENENTECH, INC. (US) 2015-07-16 US disclosed
US-20150197509-A1 SUBSTITUTED SULFONAMIDE SOLUTIONS GENENTECH, INC. (US) 2015-07-16 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-20150197509-A1 SUBSTITUTED SULFONAMIDE SOLUTIONS TRPA1, TRPV1, TRPV5 LOXL2 3346/4885TRPA1 1/4885AKT1 3111/4885

“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.