SCHEMBL2736190

SCHEMBL2736190

CC(C)(C)OC(=O)N[C@H](/C=C/[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.61
ACE P12821 1/20 0.60
CTSS P25774 3/20 0.59
CTSK P43235 3/20 0.59
CTSL P07711 1/20 0.59
CTSB P07858 1/20 0.59
PPARA Q07869 2/20 0.54
PPARG P37231 1/20 0.54
ALDH1A1 P00352 2/20 0.53
APP P05067 1/20 0.53
KMT2A Q03164 2/20 0.52
KLK5 Q9Y337 1/20 0.52
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.52
PKM P14618 1/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
XBP1 P17861 1/20 0.52
HTT P42858 1/20 0.52

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
SCHEMBL12137049 1.00 ATM (0.61) ATMACECTSSCTSKCTSL
SCHEMBL23156370 0.94 ATM (0.56) ATMACECTSSCTSKCTSL
SCHEMBL30289939 0.93 ATM (0.55) ATMACECTSSCTSKCTSL
SCHEMBL5414321 0.93 ATM (0.55) ATMACECTSSCTSKCTSL
SCHEMBL4275633 0.93 ATM (0.55) ATMACECTSSCTSKCTSL
SCHEMBL4275630 0.93 ATM (0.55) ATMACECTSSCTSKCTSL
SCHEMBL5821214 0.93 ATM (0.55) ATMACECTSSCTSKCTSL
SCHEMBL5408260 0.93 ATM (0.55) ATMACECTSSCTSKCTSL
SCHEMBL12249318 0.93 ACE (0.57) ATMACECTSSCTSKCTSL
SCHEMBL5414386 0.93 ATM (0.55) ATMACECTSSCTSKCTSL

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 53 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
EP-3112355-B1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES INC (US) 2020-04-29 EP 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-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
US-8088770-B2 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-8067449-B2 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES, INC. (US) 2011-11-29 US disclosed
US-7939553-B2 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES, INC. (US) 2011-05-10 US disclosed
US-20100189687-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. (US) 2010-07-29 US disclosed
US-20090291952-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. (US) 2009-11-26 US disclosed
US-20090181902-A1 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES,INC. (US) 2009-07-16 US disclosed
WO-2009008989-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. (US) 2009-01-15 WO disclosed
WO-2008103949-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. (US) 2008-08-28 WO disclosed
US-20080207620-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. 2008-08-28 US disclosed
US-20080108617-A1 co-administered drug (as HIV protease inhibiting compound, an HIV (non)nucleoside/nucleotide inhibitor of reverse transcriptase, capsid polymerization inhibitor, interferon, ribavirin analog) by inhibiting cytochrome P450 monooxygenase; ureido- or amido-amine derivatives; side effect reduction GILEAD SCIENCES, INC. 2008-05-08 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 (8 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-20080108617-A1 co-administered drug (as HIV protease inhibiting compound, an HIV (non)nucleoside/nucleotide inhibitor of reverse transcriptase, capsid polymerization inhibitor, interferon, ribavirin analog) by inhibiting cytochrome P450 monooxygenase; ureido- or amido-amine derivatives; side effect reduction PNP, UNG, PNPO ATM 4027/4885ACE 44/4885CTSS 571/4885
US-20090181902-A1 Modulators of pharmacokinetic properties of therapeutics SLC10A1, SLC10A2, SLC26A4 ATM 4424/4885ACE 367/4885CTSS 2144/4885
US-20080207620-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, SLC26A4 ATM 4390/4885ACE 366/4885CTSS 1955/4885
US-20100189687-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, SLC26A4 ATM 4390/4885ACE 366/4885CTSS 1955/4885
US-20180221348-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 ATM 4242/4885ACE 358/4885CTSS 1703/4885
US-20170158647-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, SLC26A4 ATM 4390/4885ACE 366/4885CTSS 1955/4885
US-20170143680-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 ATM 4242/4885ACE 358/4885CTSS 1703/4885
US-20090291952-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 ATM 4242/4885ACE 358/4885CTSS 1703/4885

“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.