SCHEMBL9931673

SCHEMBL9931673

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

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.71
▸ MEN1 O00255 4/20 0.71
▸ HCRTR1 O43613 1/20 0.71
▸ NPBWR1 P48145 1/20 0.64
▸ MCHR1 Q99705 1/20 0.64
▸ MAPT P10636 3/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ LMNA P02545 1/20 0.59
▸ MPO P05164 1/20 0.59
▸ TSHR P16473 1/20 0.59
▸ BLM P54132 1/20 0.59
▸ PMP22 Q01453 1/20 0.59
▸ HIF1A Q16665 1/20 0.59
▸ TP53 P04637 2/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ IL1RN P18510 1/20 0.55
▸ ERAP2 Q6P179 1/20 0.55
▸ P2RY14 Q15391 1/20 0.54
▸ POLB P06746 1/20 0.54
▸ ALOX15 P16050 1/20 0.53

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
SCHEMBL19051500 1.00 KMT2A (0.71) KMT2AMEN1HCRTR1NPBWR1MCHR1
Hydrochloric Acid SCHEMBL9932096 0.99 KMT2A (0.70) KMT2AMEN1HCRTR1NPBWR1MCHR1
SCHEMBL9931022 0.94 KMT2A (0.74) KMT2AMEN1HCRTR1NPBWR1MCHR1
SCHEMBL9932178 0.94 KMT2A (0.74) KMT2AMEN1HCRTR1NPBWR1MCHR1
Hydrochloric Acid SCHEMBL644842 0.93 KMT2A (0.72) KMT2AMEN1HCRTR1NPBWR1MCHR1
SCHEMBL9930905 0.92 MAPT (0.61) KMT2AMEN1HCRTR1NPBWR1MCHR1
SCHEMBL16250728 0.92 MEN1 (0.65) KMT2AMEN1HCRTR1NPBWR1MCHR1
Hydrochloric Acid SCHEMBL12819288 0.91 MAPT (0.60) KMT2AMEN1HCRTR1NPBWR1MCHR1
SCHEMBL9932155 0.91 MEN1 (0.59) KMT2AMEN1HCRTR1NPBWR1MCHR1
Hydrochloric Acid SCHEMBL9931937 0.91 MAPT (0.60) KMT2AMEN1HCRTR1NPBWR1MCHR1

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 1 patent. 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

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 KMT2A 2787/4885MEN1 1619/4885HCRTR1 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.

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