SCHEMBL9970156

SCHEMBL9970156

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

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 3/20 0.60
TACR1 P25103 10/20 0.60
ERAP2 Q6P179 7/20 0.59
ERAP1 Q9NZ08 6/20 0.59
IL1RN P18510 5/20 0.59
MAPT P10636 2/20 0.59
LMNA P02545 1/20 0.59
TP53 P04637 1/20 0.59
THRB P10828 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
SCHEMBL12966271 0.94 MAPT (0.66) TACR1MAPTLMNATP53THRB
SCHEMBL9931193 0.94 MAPT (0.66) TACR1MAPTLMNATP53THRB
SCHEMBL9931444 0.94 MAPT (0.66) TACR1MAPTLMNATP53THRB
SCHEMBL9966740 0.93 MEN1 (0.65) LNPEPTACR1ERAP2ERAP1IL1RN
SCHEMBL15591438 0.93 MEN1 (0.65) LNPEPTACR1ERAP2ERAP1IL1RN
Hydrochloric Acid SCHEMBL12819455 0.93 MAPT (0.65) TACR1MAPTLMNATP53THRB
Hydrochloric Acid SCHEMBL645269 0.92 MEN1 (0.64) LNPEPTACR1ERAP2ERAP1IL1RN
SCHEMBL9931405 0.91 LNPEP (0.67) LNPEPTACR1ERAP2ERAP1IL1RN
SCHEMBL16250712 0.91 LNPEP (0.61) LNPEPTACR1ERAP2ERAP1IL1RN
SCHEMBL12966277 0.91 ERAP2 (0.60) LNPEPTACR1ERAP2ERAP1IL1RN

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 2 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-20120157387-A1 ORALLY BIOAVAILABLE D-GAMMA-GLUTAMYL-D-TRYPTOPHAN APOTEX TECHNOLOGIES INC. (CA) 2012-06-21 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 (1 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-20120157387-A1 ORALLY BIOAVAILABLE D-GAMMA-GLUTAMYL-D-TRYPTOPHAN TPH1, TPH2, GLUL LNPEP 131/4885TACR1 1700/4885ERAP2 1204/4885

“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.