SCHEMBL2736137

SCHEMBL2736137

CC(C)C(=O)C(NC(=O)N(C)Cc1ccccn1)C(C)C

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.64
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 1/20 0.40
MAPT P10636 2/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
LIN28A Q9H9Z2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MLYCD O95822 1/20 0.39

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
SCHEMBL4683897 0.90 CA2 (0.67) CA2CYP1A2CYP3A4SMN1; SMN2ALDH1A1
SCHEMBL4683895 0.90 CA2 (0.67) CA2CYP1A2CYP3A4SMN1; SMN2ALDH1A1
SCHEMBL2760067 0.90 CA2 (0.64) CA2CYP1A2CYP3A4SMN1; SMN2ALDH1A1
SCHEMBL7422113 0.87 CA2 (0.62) CA2CYP1A2CYP3A4SMN1; SMN2ALDH1A1
SCHEMBL1311850 0.87 CA2 (0.68) CA2CYP1A2CYP3A4SMN1; SMN2ALDH1A1
SCHEMBL4676249 0.87 CA2 (0.62) CA2CYP3A4SMN1; SMN2ALDH1A1MEN1
SCHEMBL4676251 0.87 CA2 (0.62) CA2CYP3A4SMN1; SMN2ALDH1A1MEN1
SCHEMBL8660662 0.85 CA2 (0.60) CA2CYP3A4SMN1; SMN2ALDH1A1MEN1
SCHEMBL7393135 0.83 CA2 (0.60) CA2CYP1A2SMN1; SMN2ALDH1A1MEN1
SCHEMBL7302427 0.83 CA2 (0.60) CA2CYP1A2SMN1; SMN2ALDH1A1MEN1

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 19 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-8383655-B2 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES, INC. (US) 2013-02-26 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-20110212964-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. (US) 2011-09-01 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 (10 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 CA2 4415/4885CYP1A2 133/4885CYP3A4 11/4885
US-20090181902-A1 Modulators of pharmacokinetic properties of therapeutics SLC10A1, SLC10A2, SLC26A4 CA2 1494/4885CYP1A2 717/4885CYP3A4 149/4885
US-20090175820-A1 INHIBITORS OF CYTOCHROME P450 CYP11B1, CYP11B2, CYP2F1 CA2 919/4885CYP1A2 22/4885CYP3A4 23/4885
US-20080207620-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, SLC26A4 CA2 1559/4885CYP1A2 911/4885CYP3A4 160/4885
US-20100189687-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, SLC26A4 CA2 1559/4885CYP1A2 911/4885CYP3A4 160/4885
US-20180221348-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 CA2 1704/4885CYP1A2 985/4885CYP3A4 415/4885
US-20170158647-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, SLC26A4 CA2 1559/4885CYP1A2 911/4885CYP3A4 160/4885
US-20170143680-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 CA2 1704/4885CYP1A2 985/4885CYP3A4 415/4885
US-20090291952-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 CA2 1704/4885CYP1A2 985/4885CYP3A4 415/4885
US-20110212964-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 CA2 1704/4885CYP1A2 985/4885CYP3A4 415/4885

“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.