SCHEMBL10201698

SCHEMBL10201698

CCCCOC(=O)C(CC=O)NC(=O)N(C)Cc1csc(C(C)C)n1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 20/20 0.47
CYP2D6 P10635 5/20 0.45
CYP2C19 P33261 3/20 0.45
CYP2C9 P11712 2/20 0.45
CYP1A2 P05177 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
SCHEMBL2760075 1.00 CYP3A4 (0.47) CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2
SCHEMBL11919326 0.89 CYP3A4 (0.49) CYP3A4CYP2D6CYP2C19CYP2C9
SCHEMBL2760193 0.87 CYP3A4 (0.51) CYP3A4CYP2D6CYP2C19CYP2C9
SCHEMBL10201693 0.87 CYP3A4 (0.51) CYP3A4CYP2D6CYP2C19CYP2C9
SCHEMBL17209549 0.87 CYP3A4 (0.51) CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2
SCHEMBL11919249 0.86 CYP3A4 (0.50) CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2
SCHEMBL15159981 0.84 TSHR (0.38) CYP3A4CYP2D6CYP2C19CYP2C9
SCHEMBL10164420 0.84 CYP3A4 (0.53) CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2
SCHEMBL15108316 0.82 CYP3A4 (0.48) CYP3A4CYP2D6CYP2C19CYP2C9
SCHEMBL14950776 0.80 CYP3A4 (0.47) CYP3A4CYP2D6CYP2C19CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170158647-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. 2017-06-08 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
WO-2016128885-A1 A PROCESS FOR PREPARATION OF COBICISTAT LAURUS LABS PRIVATE LIMITED (IN) 2016-08-18 WO disclosed
EP-2487163-B1 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES INC (US) 2016-08-17 EP disclosed
EP-2487162-B1 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES INC (US) 2016-08-17 EP disclosed
EP-2487161-B1 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES INC (US) 2016-08-10 EP disclosed
EP-2487166-B1 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES INC (US) 2016-07-27 EP disclosed
US-20160069915-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC, 2016-03-10 US disclosed
US-20150139948-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. 2015-05-21 US disclosed
EP-2487164-A1 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES, INC. (US) 2012-08-15 EP disclosed
EP-2487163-A1 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES, INC. (US) 2012-08-15 EP disclosed
EP-2487162-A1 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES, INC. (US) 2012-08-15 EP disclosed
EP-2487168-A1 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES, INC. (US) 2012-08-15 EP disclosed
EP-2487167-A1 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES, INC. (US) 2012-08-15 EP disclosed
EP-2487166-A1 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES, INC. (US) 2012-08-15 EP disclosed
EP-2487161-A1 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES, INC. (US) 2012-08-15 EP disclosed
US-8148374-B2 Concurrent administering of drugs; side effect reduction GILEAD SCIENCES, INC. (US) 2012-04-03 US disclosed
US-20100189687-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. (US) 2010-07-29 US disclosed
US-20080207620-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. 2008-08-28 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 (4 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-20080207620-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, SLC26A4 CYP3A4 160/4885CYP2D6 105/4885CYP2C19 576/4885
US-20150139948-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, SLC26A4 CYP3A4 160/4885CYP2D6 105/4885CYP2C19 576/4885
US-20100189687-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, SLC26A4 CYP3A4 160/4885CYP2D6 105/4885CYP2C19 576/4885
US-20170158647-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, SLC26A4 CYP3A4 160/4885CYP2D6 105/4885CYP2C19 576/4885

“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.