SCHEMBL643524

SCHEMBL643524

CC(C)(C)OC(=O)NC(CCC(=O)O)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.68
CTSL P07711 2/20 0.66
CTSS P25774 1/20 0.66
CTSK P43235 1/20 0.66
MAPT P10636 2/20 0.61
TP53 P04637 1/20 0.61
ERAP2 Q6P179 1/20 0.60
CCKBR P32239 6/20 0.60
SCN9A Q15858 1/20 0.60
TACR1 P25103 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59

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
SCHEMBL27787321 1.00 ACE (0.68) ACECTSLCTSSCTSKMAPT
SCHEMBL645234 1.00 ACE (0.68) ACECTSLCTSSCTSKMAPT
SCHEMBL30608293 0.96 CTSL (0.69) ACECTSLCTSSCTSKMAPT
SCHEMBL645235 0.93 ACE (0.66) ACECTSLCTSSCTSKMAPT
SCHEMBL27885283 0.93 ACE (0.66) ACECTSLCTSSCTSKMAPT
SCHEMBL27885284 0.93 ACE (0.66) ACECTSLCTSSCTSKMAPT
SCHEMBL27871524 0.92 CTSL (0.76) ACECTSLCTSSCTSKMAPT
SCHEMBL27902245 0.92 CTSL (0.76) ACECTSLCTSSCTSKMAPT
SCHEMBL6424722 0.92 CTSL (0.68) ACECTSLCTSSCTSKMAPT
SCHEMBL6429159 0.92 CTSL (0.68) ACECTSLCTSSCTSKMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103288705-A Crystalline d-isoglutamyl-d-tryptophan and the mono ammonium slat of d-isoglutamyl-d-tryptophan APOTEX TECHNOLOGIES INC 2013-09-11 CN disclosed
CN-103288704-A Crystalline d-isoglutamyl-d-tryptophan and the mono ammonium slat of d-isoglutamyl-d-tryptophan APOTEX TECHNOLOGIES INC 2013-09-11 CN disclosed
CN-103288706-A Crystalline d-isoglutamyl-d-tryptophan and the mono ammonium slat of d-isoglutamyl-d-tryptophan APOTEX TECHNOLOGIES INC 2013-09-11 CN 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-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-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
CN-101605806-A Crystalline D-isoglutamyl-D-tryptophan and the mono ammonium salt of D-isoglutamyl-D-tryptophan APOTEX TECHNOLOGIES INC (CA) 2009-12-16 CN 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 ACE 828/4885CTSL 1553/4885CTSS 2546/4885
US-20100016243-A1 CRYSTALLINE D-ISOGLUTAMYL-D-TRYPTOPHAN AND THE MONO AMMONIUM SALT OF D-ISOGLUTAMYL-D-TRYPTOPHAN DDC, AADAT, GLUL ACE 381/4885CTSL 1145/4885CTSS 1860/4885
US-20120157387-A1 ORALLY BIOAVAILABLE D-GAMMA-GLUTAMYL-D-TRYPTOPHAN TPH1, TPH2, GLUL ACE 833/4885CTSL 373/4885CTSS 783/4885
US-20130059791-A1 CRYSTALLINE D-ISOGLUTAMYL-D-TRYPTOPHAN AND THE MONO AMMONIUM SLAT OF D-ISOGLUTAMYL-D-TRYPTOPHAN AADAT, DLST, HTT ACE 828/4885CTSL 1553/4885CTSS 2546/4885

“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.