SCHEMBL9966749

SCHEMBL9966749

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
HCRTR1 O43613 1/20 0.55
TACR1 P25103 4/20 0.54
ACE P12821 1/20 0.53
NPBWR1 P48145 1/20 0.51
MCHR1 Q99705 1/20 0.51
MAPT P10636 5/20 0.49
TP53 P04637 3/20 0.49
CTSL P07711 2/20 0.49
CTSS P25774 1/20 0.49
CTSK P43235 1/20 0.49
TACR3 P29371 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
THRB P10828 1/20 0.48
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
CCKBR P32239 1/20 0.46

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
SCHEMBL9966747 0.94 MEN1 (0.60) MEN1KMT2AHCRTR1TACR1ACE
SCHEMBL9931025 0.93 MEN1 (0.61) MEN1KMT2AHCRTR1TACR1NPBWR1
SCHEMBL9931664 0.93 MEN1 (0.61) MEN1KMT2AHCRTR1TACR1NPBWR1
SCHEMBL15210373 0.93 MEN1 (0.61) MEN1KMT2AHCRTR1TACR1NPBWR1
SCHEMBL9969974 0.89 MAPT (0.58) MEN1KMT2AHCRTR1TACR1NPBWR1
SCHEMBL9932155 0.89 MEN1 (0.59) MEN1KMT2AHCRTR1ACENPBWR1
SCHEMBL9931616 0.88 ACE (0.60) MEN1KMT2AHCRTR1TACR1ACE
Hydrochloric Acid SCHEMBL9931578 0.88 MEN1 (0.58) MEN1KMT2AHCRTR1ACENPBWR1
SCHEMBL16254030 0.87 ACE (0.58) MEN1KMT2AHCRTR1ACEMAPT
SCHEMBL16254026 0.84 ACE (0.70) MEN1KMT2AHCRTR1TACR1ACE

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
US-20120157387-A1 ORALLY BIOAVAILABLE D-GAMMA-GLUTAMYL-D-TRYPTOPHAN APOTEX TECHNOLOGIES INC. (CA) 2012-06-21 US 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 MEN1 1619/4885KMT2A 2787/4885HCRTR1 520/4885

“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.