SCHEMBL16014658

SCHEMBL16014658

CC(C)(C)OC(=O)c1c(Cl)cc(N)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.44
MAPT P10636 1/20 0.43
GRM6 O15303 1/20 0.37
CFTR P13569 1/20 0.35
NR1H2 P55055 3/20 0.34
NR1H3 Q13133 3/20 0.34
RXRA P19793 1/20 0.34
EPHX2 P34913 2/20 0.34
RAF1 P04049 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
STAT3 P40763 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
NR3C2 P08235 1/20 0.32
NOTUM Q6P988 1/20 0.32
NQO2 P16083 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 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
SCHEMBL19069956 0.79 NR1H2 (0.33) GRM6NR1H2NR1H3RXRAEPHX2
SCHEMBL9769182 0.78 MAPT (0.39) NR1H4MAPTNOTUMPOLBKDR
SCHEMBL17394375 0.78 CA12 (0.44) MAPTCA12CA1CA2CA9
SCHEMBL17394421 0.76 GABRA1 (0.34) NR1H4NR1H2NR1H3RXRAEPHX2
SCHEMBL27259934 0.75 GPR119 (0.33) MAPTGRM6NR1H2NR1H3RXRA
SCHEMBL3757830 0.73 CACNA1B (0.41) NR1H2NR1H3RXRAGPR119NOTUM
SCHEMBL7987024 0.73 GAA (0.44) NR1H4MAPTCFTRNR1H2NR1H3
SCHEMBL15359768 0.73 GRM6 (0.40) NR1H4MAPTGRM6NR1H2CA12
SCHEMBL10073234 0.72 KMT2A (0.49) NR1H4MAPTGRM6CA12CA1
SCHEMBL22032165 0.71 NR1H4 (0.39) NR1H4GRM6NR1H2NR1H3CA12

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-2964635-B1 ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2018-05-02 EP disclosed
US-9693997-B2 Antiviral compounds HOFFMANN-LA ROCHE INC. (US) 2017-07-04 US disclosed
US-9693997-B2 Antiviral compounds HOFFMANN-LA ROCHE INC. (US) 2017-07-04 US disclosed
US-9693997-B2 Antiviral compounds HOFFMANN-LA ROCHE INC. (US) 2017-07-04 US disclosed
EP-2964635-A1 ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2016-01-13 EP disclosed
US-20160000760-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2016-01-07 US disclosed
US-20160000760-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2016-01-07 US disclosed
US-20160000760-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2016-01-07 US disclosed
WO-2014135495-A1 ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-09-12 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-20160000760-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS NR1H4 226/4885MAPT 4508/4885GRM6 3983/4885

“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.