SCHEMBL10201890

SCHEMBL10201890

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

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.55
BCL9 O00512 1/20 0.51
CTNNB1 P35222 1/20 0.51
GAA P10253 2/20 0.47
ALDH1A1 P00352 5/20 0.46
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HTR2A P28223 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP1A2 P05177 1/20 0.42
PTGS2 P35354 1/20 0.42

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
SCHEMBL13574956 0.88 MGLL (0.51) MGLLBCL9CTNNB1GAAALDH1A1
SCHEMBL1309025 0.84 GAA (0.50) MGLLGAAALDH1A1MAPTHTR2A
SCHEMBL1309029 0.84 GAA (0.50) MGLLGAAALDH1A1MAPTHTR2A
SCHEMBL6449604 0.84 MGLL (0.52) MGLLBCL9CTNNB1GAAALDH1A1
SCHEMBL7174053 0.83 MGLL (0.57) MGLLBCL9CTNNB1GAAALDH1A1
SCHEMBL8403807 0.83 MGLL (0.60) MGLLBCL9CTNNB1GAAALDH1A1
SCHEMBL8171177 0.83 ALDH1A1 (0.54) MGLLBCL9CTNNB1GAAALDH1A1
SCHEMBL12279801 0.81 PPARG (0.48) MGLLBCL9CTNNB1GAAALDH1A1
SCHEMBL10201897 0.81 CTSL (0.46) MGLLALDH1A1MAPTSMN1; SMN2HTR2A
SCHEMBL28248153 0.81 ALDH1A1 (0.53) MGLLGAAALDH1A1MAPTSMN1; SMN2

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 46 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-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-20110212964-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. (US) 2011-09-01 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
WO-2010017060-A1 UREA DERIVATIVES AS ANTIBACTERIAL AGENTS SCHERING CORPORATION (US) 2010-02-11 WO 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-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 (9 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 1657/4885BCL9 3573/4885CTNNB1 4357/4885
US-20090181902-A1 Modulators of pharmacokinetic properties of therapeutics SLC10A1, SLC10A2, SLC26A4 MGLL 1979/4885BCL9 1910/4885CTNNB1 4649/4885
US-20080207620-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, SLC26A4 MGLL 1926/4885BCL9 1879/4885CTNNB1 4660/4885
US-20160303088-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 MGLL 1763/4885BCL9 1573/4885CTNNB1 4431/4885
US-20100189687-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, SLC26A4 MGLL 1926/4885BCL9 1879/4885CTNNB1 4660/4885
US-20170158647-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, SLC26A4 MGLL 1926/4885BCL9 1879/4885CTNNB1 4660/4885
US-20170143680-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 MGLL 1763/4885BCL9 1573/4885CTNNB1 4431/4885
US-20090291952-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 MGLL 1763/4885BCL9 1573/4885CTNNB1 4431/4885
US-20110212964-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 MGLL 1763/4885BCL9 1573/4885CTNNB1 4431/4885

“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.