SCHEMBL10201893

SCHEMBL10201893

COC(=O)[C@@H](NC(=O)Oc1ccc([N+](=O)[O-])cc1)C(C)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.49
GAA P10253 4/20 0.47
HTR2A P28223 1/20 0.45
BCL9 O00512 1/20 0.45
CTNNB1 P35222 1/20 0.45
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
THRB P10828 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 3/20 0.42
HTT P42858 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ATM Q13315 1/20 0.41

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
SCHEMBL7310199 0.91 MGLL (0.50) MGLLGAAHTR2ABCL9CTNNB1
SCHEMBL4941753 0.91 MGLL (0.50) MGLLGAAHTR2ABCL9CTNNB1
SCHEMBL7174053 0.86 MGLL (0.57) MGLLGAAHTR2ABCL9CTNNB1
SCHEMBL6449604 0.86 MGLL (0.52) MGLLGAAHTR2ABCL9CTNNB1
SCHEMBL12249502 0.84 MGLL (0.44) MGLLGAAHTR2ABCL9CTNNB1
SCHEMBL2736300 0.84 MGLL (0.44) MGLLGAAHTR2ABCL9CTNNB1
SCHEMBL16558039 0.84 MGLL (0.56) MGLLGAAHTR2ABCL9CTNNB1
SCHEMBL18893342 0.83 MGLL (0.46) MGLLGAAHTR2ABCL9CTNNB1
SCHEMBL12279815 0.82 ALDH1A1 (0.49) MGLLGAAHTR2ABCL9CTNNB1
SCHEMBL7257343 0.82 MGLL (0.57) MGLLGAAHTR2ABCL9CTNNB1

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 40 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-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-2487161-A1 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES, INC. (US) 2012-08-15 EP disclosed
EP-2487165-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-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
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 (7 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 MGLL 1657/4885GAA 114/4885HTR2A 2970/4885
US-20090181902-A1 Modulators of pharmacokinetic properties of therapeutics SLC10A1, SLC10A2, SLC26A4 MGLL 1979/4885GAA 302/4885HTR2A 3457/4885
US-20160303088-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 MGLL 1763/4885GAA 295/4885HTR2A 3656/4885
US-20100189687-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, SLC26A4 MGLL 1926/4885GAA 321/4885HTR2A 3517/4885
US-20170158647-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, SLC26A4 MGLL 1926/4885GAA 321/4885HTR2A 3517/4885
US-20170143680-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 MGLL 1763/4885GAA 295/4885HTR2A 3656/4885
US-20090291952-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 MGLL 1763/4885GAA 295/4885HTR2A 3656/4885

“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.