SCHEMBL10200565

SCHEMBL10200565

CCCCOC(=O)[C@H](CCN1CCOCC1)NC(=O)N(C)Cc1csc(C(C)(C)O)n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 11/20 0.47
CYP2D6 P10635 5/20 0.47
CYP2C9 P11712 3/20 0.47
CYP2C19 P33261 3/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
TACR2 P21452 2/20 0.39
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TRPV4 Q9HBA0 1/20 0.34
LMNA P02545 1/20 0.34
THRB P10828 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 1/20 0.34
CASR P41180 1/20 0.34

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
SCHEMBL10201699 0.88 CYP3A4 (0.57) CYP3A4CYP2D6CYP2C9CYP2C19ABCG2
SCHEMBL2760187 0.88 CYP3A4 (0.57) CYP3A4CYP2D6CYP2C9CYP2C19ABCG2
SCHEMBL10164389 0.87 CYP3A4 (0.49) CYP3A4CYP2D6CYP2C9CYP2C19ABCG2
SCHEMBL10164388 0.87 CYP3A4 (0.56) CYP3A4CYP2D6CYP2C9CYP2C19ABCG2
SCHEMBL13093532 0.80 CYP3A4 (0.59) CYP3A4CYP2D6CYP2C9CYP2C19ABCG2
SCHEMBL18018759 0.78 CYP3A4 (0.60) CYP3A4CYP2D6CYP2C9CYP2C19ABCG2
SCHEMBL2736234 0.78 CYP3A4 (0.60) CYP3A4CYP2D6CYP2C9CYP2C19ABCG2
Oxalic Acid SCHEMBL18006704 0.78 CYP3A4 (0.59) CYP3A4CYP2D6CYP2C9CYP2C19ABCG2
Oxalic Acid SCHEMBL18006707 0.78 CYP3A4 (0.59) CYP3A4CYP2D6CYP2C9CYP2C19ABCG2
SCHEMBL10129125 0.77 CYP3A4 (0.65) CYP3A4CYP2D6CYP2C9CYP2C19ABCG2

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 22 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
EP-2487162-B1 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES INC (US) 2016-08-17 EP disclosed
EP-2487163-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
US-20140017199-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. 2014-01-16 US disclosed
EP-2487164-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-2487168-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-2487167-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-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 (5 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 105/4885CYP2C9 476/4885
US-20140017199-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, SLC26A4 CYP3A4 160/4885CYP2D6 105/4885CYP2C9 476/4885
US-20150139948-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-20170158647-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, SLC26A4 CYP3A4 160/4885CYP2D6 105/4885CYP2C9 476/4885

“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.