SCHEMBL381081

SCHEMBL381081

C[C@H](NCC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
MAPK1 P28482 1/20 0.53
SLC15A1 P46059 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
ABCC3 O15438 1/20 0.48
NR1I2 O75469 1/20 0.48
ABCB11 O95342 1/20 0.48
NR3C1 P04150 1/20 0.48
RARG P13631 1/20 0.48
CNR1 P21554 1/20 0.48
OPRK1 P41145 1/20 0.48
NR1H2 P55055 1/20 0.48
PPARA Q07869 1/20 0.48
NR1H3 Q13133 1/20 0.48
NR1I3 Q14994 1/20 0.48

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
SCHEMBL15902594 1.00 ALDH1A1 (0.53) ALDH1A1L3MBTL1MAPK1SLC15A1CYP1A2
SCHEMBL18510019 0.91 ALDH1A1 (0.53) ALDH1A1L3MBTL1MAPK1SLC15A1CYP1A2
SCHEMBL21878225 0.88 ALDH1A1 (0.45) ALDH1A1L3MBTL1MAPK1KMT2AMAPT
SCHEMBL21878224 0.88 ALDH1A1 (0.45) ALDH1A1L3MBTL1MAPK1KMT2AMAPT
SCHEMBL10832272 0.87 ALDH1A1 (0.56) ALDH1A1L3MBTL1MAPK1SLC15A1CYP1A2
SCHEMBL6902109 0.87 L3MBTL1 (0.49) ALDH1A1L3MBTL1MAPK1SLC15A1CYP1A2
SCHEMBL20833056 0.87 TSHR (0.50) ALDH1A1L3MBTL1MAPK1SLC15A1CYP1A2
Hydrochloric Acid SCHEMBL10832268 0.86 ALDH1A1 (0.54) ALDH1A1L3MBTL1MAPK1SLC15A1CYP1A2
SCHEMBL2816306 0.86 ALDH1A1 (0.54) ALDH1A1L3MBTL1MAPK1SLC15A1CYP1A2
SCHEMBL21878155 0.85 ALDH1A1 (0.50) ALDH1A1L3MBTL1MAPK1SLC15A1CYP1A2

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220402926-A1 NOVEL MACROCYCLIC SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2022-12-22 US disclosed
US-11084794-B2 Controlled cyclization of peptoids to form chiral diketopiperazines TRIAD NATIONAL SECURITY, LLC (US) 2021-08-10 US disclosed
US-20210115013-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-04-22 US disclosed
US-20200131140-A1 CONTROLLED CYCLIZATION OF PEPTOIDS TO FORM CHIRAL DIKETOPIPERAZINES TRIAD NATIONAL SECURITY, LLC (US) 2020-04-30 US disclosed
US-20190330183-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-10-31 US disclosed
EP-3019172-B1 PRO-DRUG FORMING COMPOUNDS EVESTRA INC (US) 2019-09-25 EP disclosed
US-10273263-B2 Pro-drug forming compounds EVESTRA, INC. (US) 2019-04-30 US disclosed
US-20170349624-A1 PRO-DRUG FORMING COMPOUNDS EVESTRA, INC. 2017-12-07 US disclosed
US-9745338-B2 Pro-drug forming compounds EVESTRA, INC. (US) 2017-08-29 US disclosed
EP-3019172-A1 PRO-DRUG FORMING COMPOUNDS Evestra, Inc. (US) 2016-05-18 EP disclosed
WO-2015006691-A1 PRO-DRUG FORMING COMPOUNDS EVESTRA, INC. (US) 2015-01-15 WO disclosed
EP-2086938-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-01-25 EP disclosed
US-8058272-B2 Organic compounds NOVARTIS AG (CH) 2011-11-15 US disclosed
US-7888351-B2 Organic compounds NOVARTIS AG (CH) 2011-02-15 US disclosed
US-20110034462-A1 ORGANIC COMPOUNDS BAESCHLIN DANIEL KASPAR 2011-02-10 US disclosed
US-20100048571-A1 Organic Compounds NOVARTIS AG 2010-02-25 US disclosed
US-20090281069-A1 ORGANIC COMPOUNDS BAESCHLIN DANIEL KASPAR 2009-11-12 US disclosed
EP-2086938-A1 ORGANIC COMPOUNDS Novartis AG (CH) 2009-08-12 EP disclosed
WO-2008073306-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-06-19 WO 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 (10 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-20190330183-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 ALDH1A1 2648/4885L3MBTL1 2469/4885MAPK1 549/4885
US-20220402926-A1 NOVEL MACROCYCLIC SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ACE, ACE2, PKD1 ALDH1A1 922/4885L3MBTL1 4797/4885MAPK1 723/4885
US-11084794-B2 Controlled cyclization of peptoids to form chiral diketopiperazines NPPA, NPEPPS, RRP15 ALDH1A1 4849/4885L3MBTL1 4335/4885MAPK1 4602/4885
US-20200131140-A1 CONTROLLED CYCLIZATION OF PEPTOIDS TO FORM CHIRAL DIKETOPIPERAZINES NPPA, NPEPPS, RRP15 ALDH1A1 4849/4885L3MBTL1 4335/4885MAPK1 4602/4885
US-20210115013-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 ALDH1A1 2896/4885L3MBTL1 2745/4885MAPK1 961/4885
US-20170349624-A1 PRO-DRUG FORMING COMPOUNDS SUCNR1, FURIN, PROKR2 ALDH1A1 785/4885L3MBTL1 4782/4885MAPK1 2454/4885
US-20090281069-A1 ORGANIC COMPOUNDS OTC, OAT, SLCO2B1 ALDH1A1 72/4885L3MBTL1 3329/4885MAPK1 4494/4885
US-10273263-B2 Pro-drug forming compounds SUCNR1, FURIN, OGFR ALDH1A1 797/4885L3MBTL1 4738/4885MAPK1 2371/4885
US-20110034462-A1 ORGANIC COMPOUNDS OTC, OAT, SLCO2B1 ALDH1A1 72/4885L3MBTL1 3329/4885MAPK1 4494/4885
US-20100048571-A1 Organic Compounds XIAP, BAX, MCL1 ALDH1A1 2759/4885L3MBTL1 581/4885MAPK1 2144/4885

“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.