SCHEMBL2736277

SCHEMBL2736277

COC(=O)[C@@H](NC(=O)N(Cc1cscn1)C1CC1)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
CYP3A4 P08684 4/20 0.40
AGTR2 P50052 1/20 0.39
FNTA P49354 2/20 0.38
FNTB P49356 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 2/20 0.35
CTSK P43235 1/20 0.34
ACACB O00763 1/20 0.34
HDAC1 Q13547 2/20 0.34
HTR2A P28223 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
FAP Q12884 1/20 0.33
GAA P10253 1/20 0.33
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32

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
SCHEMBL2736278 0.89 AGTR2 (0.42) CYP3A4AGTR2FNTAFNTBCTSK
SCHEMBL2736261 0.82 CYP3A4 (0.50) TSHRCYP3A4LMNACTSK
SCHEMBL15423999 0.81 AGTR2 (0.39) TSHRCYP3A4AGTR2FNTAFNTB
SCHEMBL2736193 0.81 CYP3A4 (0.54) TSHRCYP3A4
SCHEMBL18532028 0.77 AGTR2 (0.39) CYP3A4AGTR2FNTAFNTBACACB
SCHEMBL15424000 0.73 AGTR2 (0.42) AGTR2FNTAFNTBGAADPP4
SCHEMBL13970387 0.71 TSHR (0.45) TSHRCYP3A4MEN1KMT2ALMNA
SCHEMBL7174480 0.70 CYP3A4 (0.49) CYP3A4
SCHEMBL2736260 0.70 CYP3A4 (0.49) CYP3A4CTSK
SCHEMBL10202787 0.70 CYP3A4 (0.53) CYP3A4

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 66 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-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-20100189687-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. (US) 2010-07-29 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-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
US-20090181902-A1 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES,INC. (US) 2009-07-16 US disclosed
US-20080207620-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. 2008-08-28 US 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
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 TSHR 4631/4885CYP3A4 11/4885AGTR2 2789/4885
US-20090181902-A1 Modulators of pharmacokinetic properties of therapeutics SLC10A1, SLC10A2, SLC26A4 TSHR 1955/4885CYP3A4 149/4885AGTR2 163/4885
US-20080207620-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, SLC26A4 TSHR 1865/4885CYP3A4 160/4885AGTR2 163/4885
US-20100189687-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, SLC26A4 TSHR 1865/4885CYP3A4 160/4885AGTR2 163/4885
US-20180221348-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 TSHR 2019/4885CYP3A4 415/4885AGTR2 180/4885
US-20170158647-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, SLC26A4 TSHR 1865/4885CYP3A4 160/4885AGTR2 163/4885
US-20170143680-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 TSHR 2019/4885CYP3A4 415/4885AGTR2 180/4885
US-20090291952-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 TSHR 2019/4885CYP3A4 415/4885AGTR2 180/4885

“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.