SCHEMBL2736273

SCHEMBL2736273

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

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 18/20 0.51
CYP2D6 P10635 5/20 0.44
CYP2C19 P33261 4/20 0.44
CYP2C9 P11712 4/20 0.44
CYP1A2 P05177 2/20 0.42
GAA P10253 1/20 0.39
MAPT P10636 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
SCHEMBL7301480 1.00 CYP3A4 (0.51) CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2
SCHEMBL2435500 0.91 CYP3A4 (0.46) CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2
SCHEMBL1056821 0.88 CYP3A4 (0.50) CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2
SCHEMBL2736207 0.87 CYP3A4 (0.59) CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2
SCHEMBL7301243 0.87 CYP3A4 (0.46) CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2
SCHEMBL18531996 0.87 CYP3A4 (0.59) CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2
SCHEMBL7301247 0.87 CYP3A4 (0.46) CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2
SCHEMBL7179423 0.87 CYP3A4 (0.48) CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2
SCHEMBL7091733 0.86 CYP3A4 (0.45) CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2
SCHEMBL7183478 0.85 CYP3A4 (0.47) CYP3A4CYP2D6CYP2C19CYP2C9CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3696171-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS Gilead Sciences, Inc. (US) 2020-08-19 EP disclosed
EP-3689353-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS Gilead Sciences, Inc. (US) 2020-08-05 EP disclosed
US-20180221348-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. 2018-08-09 US disclosed
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-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-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-20170143680-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. 2017-05-25 US disclosed
EP-0486948-B1 Retroviral protease inhibiting compounds ABBOTT LAB (US) 2000-10-04 EP disclosed
EP-0997459-A1 Intermediates for preparing retroviral protease inhibiting compounds Abbott Laboratories (US) 2000-05-03 EP disclosed
US-5837873-A PROTECTED OXYDIAMINES ABBOTT LABORATORIES (US) 1998-11-17 US disclosed
US-5648497-A Retroviral protease inhibiting compounds ABBOTT LABORAOTRIES (US) 1997-07-15 US disclosed
US-5616714-A PYRIDYL, THIAZOLYL-SUBSTITUTED AMINO ACID DERIVATIVES ABBOTT LABORATORIES (US) 1997-04-01 US disclosed
US-5597926-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1997-01-28 US disclosed
US-5554783-A (2R, 3R, 4S, 5S)-3-ACETOXY-2,5-BIS/BENZYLOXYCARBONYLAMINO/ -4-BROMO-1,5-DIPHENYLHEXANE ABBOTT LABORATORIES (US) 1996-09-10 US disclosed
US-5541334-A TREATING HIV ABBOTT LABORATORIES (US) 1996-07-30 US disclosed
US-5354866-A Treating HIV infections ABBOTT LABORATORIES (US) 1994-10-11 US disclosed
EP-0486948-A2 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1992-05-27 EP 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-20180221348-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.