SCHEMBL21245448

SCHEMBL21245448

Cn1cc(C[C@@H](NC(=O)[C@H](CCCCN)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)O)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.42
▸ CCKAR P32238 3/20 0.41
▸ CCKBR P32239 3/20 0.41
▸ OPRD1 P41143 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ADAM17 P78536 2/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ HDAC9 Q9UKV0 1/20 0.40
▸ HDAC5 Q9UQL6 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ MMP8 P22894 1/20 0.40

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
SCHEMBL21245449 0.81 ALDH1A1 (0.38) IDO1MEN1KMT2AHDAC3HDAC4
SCHEMBL18395376 0.81 MMP9 (0.46) MEN1KMT2AADAM17MMP9MMP8
SCHEMBL30023820 0.81 MMP9 (0.46) MEN1KMT2AADAM17MMP9MMP8
Hydrochloric Acid SCHEMBL18395638 0.80 MMP9 (0.46) MEN1KMT2AADAM17MMP9MMP8
SCHEMBL23587982 0.78 IDO1 (0.56) IDO1ADAM17HDAC3HDAC4HDAC1
SCHEMBL18396013 0.78 IDO1 (0.56) IDO1ADAM17HDAC3HDAC4HDAC1
SCHEMBL23677933 0.78 IDO1 (0.56) IDO1ADAM17HDAC3HDAC4HDAC1
Sulfuric Acid SCHEMBL21747174 0.78 ADAM17 (0.46) MEN1KMT2AADAM17MMP9MMP8
Sulfuric Acid SCHEMBL18395438 0.78 ADAM17 (0.46) MEN1KMT2AADAM17MMP9MMP8
SCHEMBL18396400 0.78 ADAM17 (0.46) MEN1KMT2AADAM17MMP9MMP8

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-20190248739-A1 SALTS AND PRODRUGS OF 1-METHYL-D-TRYPTOPHAN LUMOS PHARMA, INC. 2019-08-15 — — 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-20190248739-A1 SALTS AND PRODRUGS OF 1-METHYL-D-TRYPTOPHAN IDO1, IDO2, INMT IDO1 1/4885CCKAR 3830/4885CCKBR 4254/4885

“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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