SCHEMBL9966740

SCHEMBL9966740

COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CC[C@@H](N)C(=O)OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
HCRTR1 O43613 1/20 0.65
LNPEP Q9UIQ6 1/20 0.60
NPBWR1 P48145 1/20 0.59
MCHR1 Q99705 1/20 0.59
TACR1 P25103 8/20 0.58
IL1RN P18510 3/20 0.58
ERAP2 Q6P179 3/20 0.58
ERAP1 Q9NZ08 3/20 0.58
BMP1 P13497 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
SCHEMBL15591438 1.00 MEN1 (0.65) MEN1KMT2AHCRTR1LNPEPNPBWR1
Hydrochloric Acid SCHEMBL645269 0.99 MEN1 (0.64) MEN1KMT2AHCRTR1LNPEPNPBWR1
SCHEMBL9970156 0.93 LNPEP (0.60) LNPEPTACR1IL1RNERAP2ERAP1
SCHEMBL16250712 0.93 LNPEP (0.61) LNPEPTACR1IL1RNERAP2ERAP1
SCHEMBL9931022 0.91 KMT2A (0.74) MEN1KMT2AHCRTR1NPBWR1MCHR1
SCHEMBL9932178 0.91 KMT2A (0.74) MEN1KMT2AHCRTR1NPBWR1MCHR1
SCHEMBL9931405 0.91 LNPEP (0.67) LNPEPTACR1IL1RNERAP2ERAP1
SCHEMBL12966277 0.90 ERAP2 (0.60) LNPEPTACR1IL1RNERAP2ERAP1
Hydrochloric Acid SCHEMBL644842 0.90 KMT2A (0.72) MEN1KMT2AHCRTR1NPBWR1MCHR1
SCHEMBL16381808 0.90 ERAP2 (0.58) LNPEPTACR1IL1RNERAP2ERAP1

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 15 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-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-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-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-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-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-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
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
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 MEN1 4187/4885KMT2A 724/4885HCRTR1 1402/4885
US-20100016243-A1 CRYSTALLINE D-ISOGLUTAMYL-D-TRYPTOPHAN AND THE MONO AMMONIUM SALT OF D-ISOGLUTAMYL-D-TRYPTOPHAN DDC, AADAT, GLUL MEN1 2768/4885KMT2A 1735/4885HCRTR1 1555/4885
US-20120157387-A1 ORALLY BIOAVAILABLE D-GAMMA-GLUTAMYL-D-TRYPTOPHAN TPH1, TPH2, GLUL MEN1 1619/4885KMT2A 2787/4885HCRTR1 520/4885
US-20130059791-A1 CRYSTALLINE D-ISOGLUTAMYL-D-TRYPTOPHAN AND THE MONO AMMONIUM SLAT OF D-ISOGLUTAMYL-D-TRYPTOPHAN AADAT, DLST, HTT MEN1 4187/4885KMT2A 724/4885HCRTR1 1402/4885

“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.