SCHEMBL15904367

SCHEMBL15904367

CS(=O)(=O)c1ccc(Oc2c(Cl)cc(C3(N)N=C(N)NN3)cc2Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.38
PTGS1 P23219 5/20 0.38
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
GCK P35557 1/20 0.34
MMP14 P50281 1/20 0.32
RORC P51449 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
SCHEMBL15904518 0.90 CHEK2 (0.35) PTGS2PTGS1CYP11B1CYP11B2RORC
SCHEMBL15556599 0.79 ENPP2 (0.35) PTGS2PTGS1
SCHEMBL17394519 0.79 PTGS2 (0.40) PTGS2PTGS1
SCHEMBL17394481 0.78 PTGS2 (0.39) PTGS2PTGS1
SCHEMBL17394416 0.77 PTGS2 (0.33) PTGS2CYP11B1CYP11B2
SCHEMBL15904417 0.75 PTGS2 (0.49) PTGS2PTGS1CYP11B1CYP11B2
SCHEMBL16458709 0.72 ROCK1 (0.35)
SCHEMBL17394415 0.70 DGAT1 (0.32)
SCHEMBL16458878 0.69 BACE1 (0.31)
SCHEMBL11649861 0.69 PTGS2 (0.52) PTGS2PTGS1CYP11B1CYP11B2RORC

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-2948440-B1 ANTIVIRAL TRIAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-04-12 EP disclosed
US-9511059-B2 Antiviral compounds HOFFMANN-LA ROCHE INC. (US) 2016-12-06 US disclosed
US-20150353511-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2015-12-10 US disclosed
EP-2948440-A1 ANTIVIRAL TRIAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2015-12-02 EP disclosed
US-20140242028-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2014-08-28 US disclosed
WO-2014114573-A1 ANTIVIRAL TRIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-07-31 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 (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-20140242028-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS PTGS2 2158/4885PTGS1 837/4885CYP11B1 797/4885
US-20150353511-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS PTGS2 2158/4885PTGS1 837/4885CYP11B1 797/4885

“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.