SCHEMBL16458709

SCHEMBL16458709

CS(=O)(=O)c1cccc(C2(N)N=C(N)NN2)c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.35
NPY5R Q15761 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
ATR Q13535 2/20 0.33
JAK2 O60674 1/20 0.33
KIF11 P52732 1/20 0.33
LOXL2 Q9Y4K0 3/20 0.33
G6PD P11413 1/20 0.33
IDE P14735 1/20 0.33
CNR2 P34972 1/20 0.32
LOX P28300 1/20 0.32

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
SCHEMBL15556599 0.82 ENPP2 (0.35) LOXL2G6PDIDELOX
SCHEMBL30397630 0.81 ALOX5AP (0.45) NPY5RATRJAK2LOXL2
SCHEMBL1171999 0.78 ROCK1 (0.38) ROCK1NPY5ROPRM1OPRL1JAK2
SCHEMBL17394519 0.75 PTGS2 (0.40)
SCHEMBL15556172 0.74 BACE1 (0.35) KIF11
SCHEMBL17394416 0.74 PTGS2 (0.33)
SCHEMBL31500571 0.73 BACE1 (0.43)
SCHEMBL15904367 0.72 PTGS2 (0.38)
SCHEMBL17394481 0.70 PTGS2 (0.39)
SCHEMBL26922933 0.69 OPRM1 (0.35) ROCK1NPY5ROPRM1OPRL1JAK2

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
EP-2870143-B1 TRIAZOLE COMPOUNDS AS ANTIVIRALS HOFFMANN LA ROCHE (CH) 2017-05-17 EP disclosed
US-20150307461-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2015-10-29 US disclosed
US-20140010783-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2014-01-09 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-20150307461-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS ROCK1 2535/4885NPY5R 4604/4885OPRM1 913/4885
US-20140010783-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS ROCK1 2535/4885NPY5R 4604/4885OPRM1 913/4885

“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.