SCHEMBL2736045

SCHEMBL2736045

CCCC(CCC(Cc1ccccc1)NC(=O)C(NC(=O)N(C)Cc1csc(C(C)C)n1)C(C)C)NC(=O)OCc1cncs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 20/20 1.00
CYP2D6 P10635 6/20 0.95
CYP2C9 P11712 3/20 0.95
CYP2C19 P33261 3/20 0.95
CYP1A2 P05177 2/20 0.95

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
SCHEMBL2760165 1.00 CYP3A4 (1.00) CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL10163659 1.00 CYP3A4 (1.00) CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL2760166 1.00 CYP3A4 (1.00) CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL2736306 0.97 CYP3A4 (1.00) CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL2736034 0.97 CYP3A4 (1.00) CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL24061652 0.97 CYP3A4 (1.00) CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL2736182 0.97 CYP3A4 (1.00) CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL2736270 0.93 CYP3A4 (0.92) CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL2736047 0.93 CYP3A4 (0.92) CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL11919017 0.93 CYP3A4 (0.92) CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3696171-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS Gilead Sciences, Inc. (US) 2020-08-19 EP disclosed
EP-3689353-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS Gilead Sciences, Inc. (US) 2020-08-05 EP disclosed
EP-3112355-B1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES INC (US) 2020-04-29 EP disclosed
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
EP-3150586-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS Gilead Sciences, Inc. (US) 2017-04-05 EP disclosed
US-9575080-B2 2017-02-21 US disclosed
US-9575080-B2 2017-02-21 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-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-20090181902-A1 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES,INC. (US) 2009-07-16 US disclosed
WO-2009008989-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. (US) 2009-01-15 WO disclosed
US-20080207620-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. 2008-08-28 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
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 (8 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 11/4885CYP2D6 50/4885CYP2C9 113/4885
US-20090181902-A1 Modulators of pharmacokinetic properties of therapeutics SLC10A1, SLC10A2, SLC26A4 CYP3A4 149/4885CYP2D6 92/4885CYP2C9 410/4885
US-20080207620-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, SLC26A4 CYP3A4 160/4885CYP2D6 105/4885CYP2C9 476/4885
US-20100189687-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, SLC26A4 CYP3A4 160/4885CYP2D6 105/4885CYP2C9 476/4885
US-20180221348-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 CYP3A4 415/4885CYP2D6 140/4885CYP2C9 615/4885
US-20170158647-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, SLC26A4 CYP3A4 160/4885CYP2D6 105/4885CYP2C9 476/4885
US-20170143680-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 CYP3A4 415/4885CYP2D6 140/4885CYP2C9 615/4885
US-20090291952-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 CYP3A4 415/4885CYP2D6 140/4885CYP2C9 615/4885

“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.