SCHEMBL21783920

SCHEMBL21783920

CCO[C@H](C)c1ccc([C@@H](COC)CC(=O)O)cc1N

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.39
▸ FFAR1 O14842 13/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GABBR2 O75899 3/20 0.33
▸ GABBR1 Q9UBS5 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL21783899 1.00 GAA (0.39) GAAFFAR1ALDH1A1GABBR2GABBR1
SCHEMBL21783917 0.89 GAA (0.41) GAAFFAR1ALDH1A1GABBR2GABBR1
SCHEMBL21783879 0.89 GAA (0.41) GAAFFAR1ALDH1A1GABBR2GABBR1
SCHEMBL21783885 0.84 GAA (0.37) GAAFFAR1ALDH1A1
SCHEMBL21783919 0.76 IDO1 (0.39) GAAFFAR1ALDH1A1MEN1KMT2A
SCHEMBL21783903 0.76 IDO1 (0.39) GAAFFAR1ALDH1A1MEN1KMT2A
SCHEMBL21773886 0.74 F2 (0.33) FFAR1ALDH1A1
SCHEMBL21783849 0.73 GAA (0.39) GAAFFAR1
SCHEMBL21783913 0.73 GAA (0.39) GAAFFAR1
SCHEMBL11511564 0.68 MEN1 (0.40) GAAALDH1A1LMNACYP3A4BLM

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-11253525-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use BRISTOL-MYERS SQUIBB COMPANY (US) 2022-02-22 — — US disclosed
US-20200069695-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL MYERS SQUIBB CO (US) 2020-03-05 — — 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-11253525-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use IDO1, IDO2, INMT GAA 316/4885FFAR1 3772/4885ALDH1A1 952/4885
US-20200069695-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT GAA 316/4885FFAR1 3772/4885ALDH1A1 952/4885

“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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