SCHEMBL7180435

SCHEMBL7180435

CC(C)c1nc(CN(C)C(=O)N[C@@H](C)C(=O)O)cs1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 20/20 0.50
CYP2D6 P10635 6/20 0.47
CYP2C19 P33261 4/20 0.47
CYP2C9 P11712 4/20 0.47
CYP1A2 P05177 2/20 0.47

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
SCHEMBL7391613 0.89 CYP3A4 (0.56) CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2
SCHEMBL27900691 0.89 CYP3A4 (0.56) CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2
SCHEMBL1389204 0.89 CYP3A4 (0.56) CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2
SCHEMBL7181294 0.88 CYP3A4 (0.53) CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2
SCHEMBL7527628 0.88 CYP3A4 (0.55) CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2
SCHEMBL10201902 0.86 CYP3A4 (0.49) CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2
SCHEMBL10201898 0.86 CYP3A4 (0.52) CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2
SCHEMBL18715769 0.86 CYP3A4 (0.53) CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2
SCHEMBL2736292 0.85 CYP3A4 (0.53) CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2
SCHEMBL11919331 0.85 CYP3A4 (0.49) 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 74 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
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
EP-3112355-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. (US) 2017-01-04 EP disclosed
US-20160303088-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. 2016-10-20 US disclosed
EP-2487165-B1 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES INC (US) 2016-09-14 EP 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
US-5591860-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1997-01-07 US disclosed
US-5583232-A TREATING HUMAN IMMUNODEFICIENCY VIRUS INFECTIONS ABBOTT LABORATORIES (US) 1996-12-10 US disclosed
US-5583233-A TREATING HUMAN IMMUNODEFICIENCY VIRUS INFECTIONS ABBOTT LABORATORIES (US) 1996-12-10 US disclosed
US-5580984-A 1-OXA-3-AZA-2-BORINE INTERMEDIATES ABBOTT LABORATORIES (US) 1996-12-03 US disclosed
US-5565418-A PREPARING CARBAMATE INTERMEDIATES BY REACTING SUBSTITUTED HYDROXYDIAMINE COMPOUND WITH ONE AMINE PROTECTED WITH ACTIVATED ACYLATING AGENT, DEPROTECTING ABBOTT LABORATORIES (US) 1996-10-15 US disclosed
EP-0674513-B1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LAB (US) 1996-09-25 EP disclosed
US-5552558-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1996-09-03 US disclosed
EP-0727419-A2 Retroviral protease inhibiting compounds Abbott Laboratories (US) 1996-08-21 EP disclosed
US-5541206-A TREATING HUMAN IMMUNODEFICIENCY VIRUS INFECTION ABBOTT LABORATORIES (US) 1996-07-30 US disclosed
US-5539122-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1996-07-23 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 (3 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-20160303088-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 CYP3A4 415/4885CYP2D6 140/4885CYP2C19 716/4885
US-20170158647-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, SLC26A4 CYP3A4 160/4885CYP2D6 105/4885CYP2C19 576/4885
US-20170143680-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 CYP3A4 415/4885CYP2D6 140/4885CYP2C19 716/4885

“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.