SCHEMBL645270

SCHEMBL645270

COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(N)CCC(=O)OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERAP2 Q6P179 12/20 0.59
ERAP1 Q9NZ08 10/20 0.59
IL1RN P18510 7/20 0.59
ANPEP P15144 1/20 0.57
NMBR P28336 1/20 0.56
MEN1 O00255 1/20 0.56
HCRTR1 O43613 1/20 0.56
KMT2A Q03164 1/20 0.56
ECE1 P42892 1/20 0.56
LNPEP Q9UIQ6 4/20 0.55
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.55

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
SCHEMBL8097660 0.94 ERAP1 (0.64) ERAP2ERAP1IL1RNNMBRLNPEP
SCHEMBL15526241 0.94 ERAP1 (0.64) ERAP2ERAP1IL1RNNMBRLNPEP
SCHEMBL17547907 0.91 ERAP1 (0.59) ERAP2ERAP1IL1RNANPEPNMBR
SCHEMBL644843 0.91 MEN1 (0.62) ERAP2ERAP1IL1RNANPEPMEN1
SCHEMBL27785992 0.87 ERAP2 (0.59) ERAP2ERAP1IL1RNNMBRECE1
SCHEMBL27785996 0.87 ERAP2 (0.59) ERAP2ERAP1IL1RNNMBRECE1
SCHEMBL27855349 0.87 ECE1 (0.55) ERAP2ERAP1IL1RNNMBRMEN1
SCHEMBL30800612 0.87 ERAP2 (0.64) ERAP2ERAP1IL1RNANPEPMEN1
SCHEMBL17547908 0.87 CTSC (0.58) ERAP2ERAP1IL1RNANPEPNMBR
SCHEMBL20829978 0.86 OPRK1 (0.62) ERAP2ERAP1IL1RNANPEPMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (4 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 2902/4885ERAP1 2854/4885IL1RN 3008/4885
US-20100016243-A1 CRYSTALLINE D-ISOGLUTAMYL-D-TRYPTOPHAN AND THE MONO AMMONIUM SALT OF D-ISOGLUTAMYL-D-TRYPTOPHAN DDC, AADAT, GLUL ERAP2 2964/4885ERAP1 2880/4885IL1RN 3498/4885
US-20120157387-A1 ORALLY BIOAVAILABLE D-GAMMA-GLUTAMYL-D-TRYPTOPHAN TPH1, TPH2, GLUL ERAP2 1204/4885ERAP1 1231/4885IL1RN 3653/4885
US-20130059791-A1 CRYSTALLINE D-ISOGLUTAMYL-D-TRYPTOPHAN AND THE MONO AMMONIUM SLAT OF D-ISOGLUTAMYL-D-TRYPTOPHAN AADAT, DLST, HTT ERAP2 2902/4885ERAP1 2854/4885IL1RN 3008/4885

“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.