SCHEMBL2736144

SCHEMBL2736144

CC(C)C(=O)C(NC(=O)N(Cc1cnc(C(C)C)s1)C1CC1)C(C)O

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.36
GHSR Q92847 1/20 0.31

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
SCHEMBL2760156 0.93 CYP3A4 (0.36) CYP3A4
SCHEMBL14308343 0.91 CYP3A4 (0.35) CYP3A4
SCHEMBL19861671 0.90 CYP3A4 (0.35) CYP3A4
SCHEMBL2736141 0.83 CYP3A4 (0.36) CYP3A4GHSR
SCHEMBL2736143 0.79 CYP3A4 (0.49) CYP3A4GHSR
SCHEMBL10201390 0.77 CYP3A4 (0.37) CYP3A4GHSR
SCHEMBL2736136 0.76 CYP3A4 (0.39) CYP3A4
SCHEMBL13770950 0.73 CYP3A4 (0.35) CYP3A4GHSR
SCHEMBL2736153 0.72 CYP3A4 (0.52) CYP3A4
SCHEMBL2760182 0.71 CYP3A4 (0.40) CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180221348-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. 2018-08-09 US disclosed
US-9891239-B2 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES, INC. (US) 2018-02-13 US disclosed
US-20170158647-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. 2017-06-08 US disclosed
US-20170143680-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. 2017-05-25 US disclosed
US-9575080-B2 2017-02-21 US disclosed
US-9575080-B2 2017-02-21 US disclosed
US-8759379-B2 Inhibitors of cytochrome P450 GILEAD SCIENCES, INC. (US) 2014-06-24 US disclosed
US-8148374-B2 Concurrent administering of drugs; side effect reduction GILEAD SCIENCES, INC. (US) 2012-04-03 US disclosed
US-8088770-B2 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-8067449-B2 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES, INC. (US) 2011-11-29 US disclosed
US-7939553-B2 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES, INC. (US) 2011-05-10 US disclosed
US-20100189687-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. (US) 2010-07-29 US disclosed
US-20090291952-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. (US) 2009-11-26 US disclosed
US-20090181902-A1 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES,INC. (US) 2009-07-16 US disclosed
US-20090175820-A1 INHIBITORS OF CYTOCHROME P450 GILEAD SCIENCES, INC. (US) 2009-07-09 US disclosed
US-20080207620-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. 2008-08-28 US disclosed
US-20080108617-A1 co-administered drug (as HIV protease inhibiting compound, an HIV (non)nucleoside/nucleotide inhibitor of reverse transcriptase, capsid polymerization inhibitor, interferon, ribavirin analog) by inhibiting cytochrome P450 monooxygenase; ureido- or amido-amine derivatives; side effect reduction GILEAD SCIENCES, INC. 2008-05-08 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 (9 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-20080108617-A1 co-administered drug (as HIV protease inhibiting compound, an HIV (non)nucleoside/nucleotide inhibitor of reverse transcriptase, capsid polymerization inhibitor, interferon, ribavirin analog) by inhibiting cytochrome P450 monooxygenase; ureido- or amido-amine derivatives; side effect reduction PNP, UNG, PNPO CYP3A4 11/4885GHSR 4694/4885
US-20090181902-A1 Modulators of pharmacokinetic properties of therapeutics SLC10A1, SLC10A2, SLC26A4 CYP3A4 149/4885GHSR 2012/4885
US-20090175820-A1 INHIBITORS OF CYTOCHROME P450 CYP11B1, CYP11B2, CYP2F1 CYP3A4 23/4885GHSR 3563/4885
US-20080207620-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, SLC26A4 CYP3A4 160/4885GHSR 2103/4885
US-20100189687-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, SLC26A4 CYP3A4 160/4885GHSR 2103/4885
US-20180221348-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 CYP3A4 415/4885GHSR 2102/4885
US-20170158647-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, SLC26A4 CYP3A4 160/4885GHSR 2103/4885
US-20170143680-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 CYP3A4 415/4885GHSR 2102/4885
US-20090291952-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 CYP3A4 415/4885GHSR 2102/4885

“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.