SCHEMBL7205713

SCHEMBL7205713

CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.78
GAA P10253 2/20 0.53
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
EPHX1 P07099 2/20 0.51
KMT2A Q03164 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CTSK P43235 2/20 0.50
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
KDM1A O60341 1/20 0.47
MAOB P27338 1/20 0.47
CYP2C9 P11712 1/20 0.45
HSD11B1 P28845 1/20 0.45
EPHX2 P34913 1/20 0.43
DRD2 P14416 1/20 0.41

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
SCHEMBL7212396 1.00 BTK (0.78) BTKGAACA1CA2EPHX1
SCHEMBL7210932 1.00 BTK (0.78) BTKGAACA1CA2EPHX1
SCHEMBL14502820 1.00 BTK (0.78) BTKGAACA1CA2EPHX1
SCHEMBL22957939 0.93 BTK (0.69) BTKGAACA1CA2EPHX1
SCHEMBL20737119 0.93 BTK (0.69) BTKGAACA1CA2EPHX1
SCHEMBL369297 0.92 BTK (0.72) BTKGAACA1CA2EPHX1
SCHEMBL25234757 0.92 BTK (0.68) BTKGAACA1CA2EPHX1
SCHEMBL16070792 0.92 BTK (0.68) BTKGAACA1CA2EPHX1
SCHEMBL21912379 0.92 BTK (0.68) BTKGAACA1CA2EPHX1
Methyl Alcohol SCHEMBL9686628 0.90 BTK (0.70) BTKGAACA1CA2EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8350042-B2 Antiviral compounds for the treatment of HCV infection THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-01-08 US disclosed
US-20110003855-A1 ANTIVIRAL COMPOUNDS FOR THE TREATMENT OF HCV INFECTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-06 US disclosed
US-20110003855-A1 ANTIVIRAL COMPOUNDS FOR THE TREATMENT OF HCV INFECTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-06 US disclosed
EP-0765313-B1 N,N'-BIS(QUINOLIN-4-YL)-DIAMINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ANTIMALARIALS HOFFMANN LA ROCHE (CH) 2003-08-20 EP disclosed
US-5736557-A MICROBIOCIDE EFFECTIVE AGAINST CHLOROQUINE-RESISTANT AND CHLOROQUINE-SENSITIVE STRAINS OF PLASMODIUM FALCIPARUM HOFFMAN-LA ROCHE, INC. (US) 1998-04-07 US disclosed
EP-0765313-A1 N,N'-BIS(QUINOLIN-4-YL)-DIAMINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ANTIMALARIALS F. HOFFMANN-LA ROCHE AG (CH) 1997-04-02 EP disclosed
WO-1995035287-A1 N,N'-BIS(QUINOLIN-4-YL)-DIAMINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ANTIMALARIALS F.HOFFMANN-LA ROCHE AG (CH) 1995-12-28 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-20110003855-A1 ANTIVIRAL COMPOUNDS FOR THE TREATMENT OF HCV INFECTION EIF2AK2, HAVCR2, GOT1 BTK 3076/4885GAA 133/4885CA1 4781/4885

“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.