SCHEMBL12249508

SCHEMBL12249508

CN(Cc1cncs1)C(=O)N[C@@H](COC(C)(C)C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 18/20 0.47
GRN P28799 1/20 0.42
SORT1 Q99523 1/20 0.42
CYP2D6 P10635 2/20 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
SCHEMBL12249509 0.90 CYP3A4 (0.47) CYP3A4CYP2D6
SCHEMBL18715659 0.84 CYP3A4 (0.47) CYP3A4CYP2D6
SCHEMBL12249517 0.84 CYP3A4 (0.49) CYP3A4GRNSORT1CYP2D6
SCHEMBL2736286 0.81 CYP3A4 (0.52) CYP3A4CYP2D6
SCHEMBL2736342 0.81 CYP3A4 (0.47) CYP3A4CYP2D6
SCHEMBL12249494 0.79 CYP3A4 (0.49) CYP3A4CYP2D6
SCHEMBL2736222 0.78 CYP3A4 (0.46) CYP3A4CYP2D6
SCHEMBL7395138 0.77 CYP3A4 (0.56) CYP3A4CYP2D6
SCHEMBL2736265 0.77 CYP3A4 (0.56) CYP3A4CYP2D6
SCHEMBL18715782 0.76 CYP3A4 (0.48) CYP3A4CYP2D6

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-20160303088-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. 2016-10-20 US disclosed
US-20160069915-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC, 2016-03-10 US disclosed
US-20160067360-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. (US) 2016-03-10 US disclosed
US-9139541-B2 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES, INC. (US) 2015-09-22 US disclosed
US-20150225448-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. 2015-08-13 US disclosed
US-20150139948-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. 2015-05-21 US disclosed
US-20150011775-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. (US) 2015-01-08 US disclosed
US-20140105859-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. (US) 2014-04-17 US disclosed
US-20140017199-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. 2014-01-16 US disclosed
US-8486942-B2 Modulators of pharmacokinetic properties of therapeutics Gilead Sciencs, Inc. (US) 2013-07-16 US disclosed
US-20130123311-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. (US) 2013-05-16 US disclosed
US-8383655-B2 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES, INC. (US) 2013-02-26 US disclosed
US-20120237478-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. (US) 2012-09-20 US disclosed
US-20110212964-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. (US) 2011-09-01 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 (13 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-20140105859-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 CYP3A4 415/4885GRN 765/4885SORT1 508/4885
US-20130123311-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 CYP3A4 415/4885GRN 765/4885SORT1 508/4885
US-20140017199-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, SLC26A4 CYP3A4 160/4885GRN 847/4885SORT1 619/4885
US-20160303088-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 CYP3A4 415/4885GRN 765/4885SORT1 508/4885
US-20150139948-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, SLC26A4 CYP3A4 160/4885GRN 847/4885SORT1 619/4885
US-20120237478-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, SLC26A4 CYP3A4 160/4885GRN 847/4885SORT1 619/4885
US-20180221348-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 CYP3A4 415/4885GRN 765/4885SORT1 508/4885
US-20170158647-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, SLC26A4 CYP3A4 160/4885GRN 847/4885SORT1 619/4885
US-20150225448-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 CYP3A4 415/4885GRN 765/4885SORT1 508/4885
US-20170143680-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 CYP3A4 415/4885GRN 765/4885SORT1 508/4885
US-20160067360-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 CYP3A4 415/4885GRN 765/4885SORT1 508/4885
US-20150011775-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 CYP3A4 415/4885GRN 765/4885SORT1 508/4885
US-20110212964-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 CYP3A4 415/4885GRN 765/4885SORT1 508/4885

“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.