SCHEMBL645235

SCHEMBL645235

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

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.66
CTSL P07711 2/20 0.64
CTSS P25774 1/20 0.64
CTSK P43235 1/20 0.64
MAPT P10636 2/20 0.59
TP53 P04637 1/20 0.59
CCKBR P32239 6/20 0.58
SCN9A Q15858 1/20 0.58
TACR1 P25103 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56

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
SCHEMBL27885284 1.00 ACE (0.66) ACECTSLCTSSCTSKMAPT
SCHEMBL27885283 1.00 ACE (0.66) ACECTSLCTSSCTSKMAPT
SCHEMBL30643020 0.96 CTSL (0.67) ACECTSLCTSSCTSKMAPT
SCHEMBL27787321 0.93 ACE (0.68) ACECTSLCTSSCTSKMAPT
SCHEMBL643524 0.93 ACE (0.68) ACECTSLCTSSCTSKMAPT
SCHEMBL645234 0.93 ACE (0.68) ACECTSLCTSSCTSKMAPT
SCHEMBL27902200 0.91 CTSL (0.66) ACECTSLCTSSCTSKMAPT
SCHEMBL27902196 0.91 CTSL (0.66) ACECTSLCTSSCTSKMAPT
SCHEMBL27902245 0.91 CTSL (0.76) ACECTSLCTSSCTSKMAPT
SCHEMBL27871524 0.91 CTSL (0.76) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-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.