Tryptophan

Tryptophan

SCHEMBL2000070

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

nearest known ligand 0.70

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.70
MAPT P10636 3/20 0.70
LMNA P02545 2/20 0.70
TSHR P16473 2/20 0.70
BLM P54132 2/20 0.70
PMP22 Q01453 2/20 0.70
KMT2A Q03164 2/20 0.70
MEN1 O00255 1/20 0.70
MPO P05164 1/20 0.70
HIF1A Q16665 1/20 0.70
ERAP2 Q6P179 4/20 0.59
APAF1 O14727 1/20 0.56
POLB P06746 1/20 0.56
RECQL P46063 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ECE1 P42892 5/20 0.52
IL1RN P18510 3/20 0.51
ERAP1 Q9NZ08 2/20 0.51
HTR1A P08908 2/20 0.51
HTR2A P28223 2/20 0.51

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
Dl-Tryptophan SCHEMBL22500851 1.00 KDM4E (0.70) KDM4EMAPTLMNATSHRBLM
Tryptophan SCHEMBL7855013 1.00 KDM4E (0.70) KDM4EMAPTLMNATSHRBLM
Tryptophan SCHEMBL4294273 0.94 KDM4E (0.61) KDM4EMAPTLMNATSHRBLM
Dl-Tryptophan SCHEMBL27689262 0.93 KDM4E (0.68) KDM4EMAPTLMNATSHRBLM
Tryptophan SCHEMBL2005670 0.92 KDM4E (0.82) KDM4EMAPTLMNATSHRBLM
Tryptophan SCHEMBL6688035 0.92 KDM4E (0.82) KDM4EMAPTLMNATSHRBLM
Tryptophan SCHEMBL531051 0.92 KDM4E (0.82) KDM4EMAPTLMNATSHRBLM
Dl-Tryptophan SCHEMBL2143522 0.92 KDM4E (0.82) KDM4EMAPTLMNATSHRBLM
Dl-Tryptophan SCHEMBL8059982 0.92 KDM4E (0.82) KDM4EMAPTLMNATSHRBLM
Dl-Tryptophan SCHEMBL27153460 0.92 KDM4E (0.82) KDM4EMAPTLMNATSHRBLM

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
EP-1100818-B1 INHIBITORS OF HIV MEMBRANE FUSION WHITEHEAD BIOMEDICAL INST (US) 2013-01-02 EP disclosed
US-7960504-B2 Inhibitors of HIV membrane fusion WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2011-06-14 US disclosed
US-20050221294-A1 Inhibitors of HIV membrane fusion WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2005-10-06 US disclosed
US-6841657-B2 Inhibitors of HIV membrane fusion WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2005-01-11 US disclosed
US-6818740-B1 FOR DRUG SCREENING POLYMERASE/PROTEASE INHIBITORS; ENVELOPE PROTEINS WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH 2004-11-16 US disclosed
US-20020077284-A1 Inhibitors of HIV membrane fusion WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2002-06-20 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 (2 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-20020077284-A1 Inhibitors of HIV membrane fusion CD4, NSF, CYTH3 KDM4E 4215/4885MAPT 935/4885LMNA 1428/4885
US-20050221294-A1 Inhibitors of HIV membrane fusion CD4, NSF, CYTH3 KDM4E 4215/4885MAPT 935/4885LMNA 1428/4885

“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.