SCHEMBL643229

SCHEMBL643229

NC(=O)[C@H](N)CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 2/20 0.60
▸ ALOX15 P16050 1/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ LMNA P02545 1/20 0.59
▸ MPO P05164 1/20 0.59
▸ MAPT P10636 1/20 0.59
▸ TSHR P16473 1/20 0.59
▸ BLM P54132 1/20 0.59
▸ PMP22 Q01453 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ HIF1A Q16665 1/20 0.59
▸ ACE P12821 4/20 0.59
▸ ITGB2 P05107 4/20 0.58
▸ ICAM1 P05362 4/20 0.58
▸ ITGAL P20701 4/20 0.58
▸ PPARG P37231 1/20 0.57
▸ P2RY14 Q15391 1/20 0.57
▸ TP53 P04637 1/20 0.57
▸ POLB P06746 1/20 0.57

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
SCHEMBL645413 1.00 ERAP2 (0.60) ERAP2ALOX15KDM4EMEN1LMNA
SCHEMBL644404 1.00 ERAP2 (0.60) ERAP2ALOX15KDM4EMEN1LMNA
SCHEMBL27780903 1.00 ERAP2 (0.60) ERAP2ALOX15KDM4EMEN1LMNA
SCHEMBL642931 1.00 ERAP2 (0.60) ERAP2ALOX15KDM4EMEN1LMNA
Lithium SCHEMBL731228 0.99 ERAP2 (0.59) ERAP2ALOX15KDM4EMEN1LMNA
Calcium SCHEMBL730968 0.99 ERAP2 (0.59) ERAP2ALOX15KDM4EMEN1LMNA
Ammonia Solution, Strong SCHEMBL645221 0.99 ERAP2 (0.59) ERAP2ALOX15KDM4EMEN1LMNA
Potassium SCHEMBL729278 0.99 ERAP2 (0.59) ERAP2ALOX15KDM4EMEN1LMNA
Magnesium SCHEMBL730627 0.99 KDM4E (0.61) ERAP2ALOX15KDM4EMEN1LMNA
Potassium SCHEMBL4439164 0.99 ERAP2 (0.59) ERAP2ALOX15KDM4EMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150011484-A1 PRODRUGS OF D-GAMMA-GLUTAMYL-D-TRYPTOPHAN AND D-GAMMA-GLUTAMYL-L-TRYPTOPHAN APTOEX TECHNOLOGIES, INC. (CA) 2015-01-08 — — US disclosed
US-20140343050-A1 PRODRUGS OF D-ISOGLUTAMYL-[D/L]-TRYPTOPHAN APTOEX TECHNOLOGIES, INC. (CA) 2014-11-20 — — US disclosed
EP-2691369-A1 PRODRUGS OF D-ISOGLUTAMYL-[D/L]-TRYPTOPHAN Apotex Technologies Inc. (CA) 2014-02-05 — — EP disclosed
WO-2013123574-A1 ORALLY BIOAVAILABLE DERIVATIVES OF D-GAMMA-GLUTAMYL-D-TRYPTOPHAN APOTEX TECHNOLOGIES INC. (CA) 2013-08-29 — — WO disclosed
US-8507449-B2 Crystalline D-isoglutamyl-D-tryptophan and the mono ammonium salt of D-isoglutamyl-D-tryptophan APOTEX TECHNOLOGIES INC. (CA) 2013-08-13 — — US disclosed
US-8476235-B2 Crystalline D-isoglutamyl-D-tryptophan and the mono ammonium salt of D-isoglutamyl-D-tryptophan APOTEX TECHNOLOGIES INC. (CA) 2013-07-02 — — US disclosed
US-20130060048-A1 CRYSTALLINE D-ISOGLUTAMYL-D-TRYPTOPHAN AND THE MONO AMMONIUM SLAT OF D-ISOGLUTAMYL-D-TRYPTOPHAN APOTEX TECHNOLOGIES INC. (CA) 2013-03-07 — — US disclosed
US-20130059791-A1 CRYSTALLINE D-ISOGLUTAMYL-D-TRYPTOPHAN AND THE MONO AMMONIUM SLAT OF D-ISOGLUTAMYL-D-TRYPTOPHAN APOTEX TECHNOLOGIES INC. (CA) 2013-03-07 — — US disclosed
WO-2012129671-A1 PRODRUGS OF D-ISOGLUTAMYL-[D/L]-TRYPTOPHAN APOTEX TECHNOLOGIES INC. (CA) 2012-10-04 — — WO disclosed
US-20120157387-A1 ORALLY BIOAVAILABLE D-GAMMA-GLUTAMYL-D-TRYPTOPHAN APOTEX TECHNOLOGIES INC. (CA) 2012-06-21 — — US disclosed
US-8119606-B2 Crystalline D-isoglutamyl-D-tryptophan and the mono ammonium salt of D-isoglutamyl-D-tryptophan Apotex Technologies (CA) 2012-02-21 — — US disclosed
US-20100016243-A1 CRYSTALLINE D-ISOGLUTAMYL-D-TRYPTOPHAN AND THE MONO AMMONIUM SALT OF D-ISOGLUTAMYL-D-TRYPTOPHAN APOTEX TECHNOLOGIES INC. (CA) 2010-01-21 — — US disclosed
EP-2121728-A1 CRYSTALLINE D-ISOGLUTAMYL-D-TRYPTOPHAN AND THE MONO AMMONIUM SALT OF D-ISOGLUTAMYL- D-TRYPTOPHAN Apotex Technologies Inc. (CA) 2009-11-25 — — EP disclosed
WO-2008064465-A1 CRYSTALLINE D-ISOGLUTAMYL-D-TRYPTOPHAN AND THE MONO AMMONIUM SALT OF D-ISOGLUTAMYL- D-TRYPTOPHAN APOTEX TECHNOLOGIES INC. (CA) 2008-06-05 — — 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 (6 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-20130060048-A1 CRYSTALLINE D-ISOGLUTAMYL-D-TRYPTOPHAN AND THE MONO AMMONIUM SLAT OF D-ISOGLUTAMYL-D-TRYPTOPHAN AADAT, DLST, HTT ERAP2 2902/4885ALOX15 4347/4885KDM4E 815/4885
US-20140343050-A1 PRODRUGS OF D-ISOGLUTAMYL-[D/L]-TRYPTOPHAN TPH1, TYMS, TDO2 ERAP2 764/4885ALOX15 2209/4885KDM4E 3178/4885
US-20100016243-A1 CRYSTALLINE D-ISOGLUTAMYL-D-TRYPTOPHAN AND THE MONO AMMONIUM SALT OF D-ISOGLUTAMYL-D-TRYPTOPHAN DDC, AADAT, GLUL ERAP2 2964/4885ALOX15 4611/4885KDM4E 1255/4885
US-20120157387-A1 ORALLY BIOAVAILABLE D-GAMMA-GLUTAMYL-D-TRYPTOPHAN TPH1, TPH2, GLUL ERAP2 1204/4885ALOX15 2546/4885KDM4E 2998/4885
US-20150011484-A1 PRODRUGS OF D-GAMMA-GLUTAMYL-D-TRYPTOPHAN AND D-GAMMA-GLUTAMYL-L-TRYPTOPHAN TPH1, GCG, GLUL ERAP2 1835/4885ALOX15 2369/4885KDM4E 3537/4885
US-20130059791-A1 CRYSTALLINE D-ISOGLUTAMYL-D-TRYPTOPHAN AND THE MONO AMMONIUM SLAT OF D-ISOGLUTAMYL-D-TRYPTOPHAN AADAT, DLST, HTT ERAP2 2902/4885ALOX15 4347/4885KDM4E 815/4885

“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.

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