SCHEMBL21783903

SCHEMBL21783903

CCO[C@H](C)c1ccc([C@@H](COC)CC(=O)O)cc1Nc1cnc(C)nc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.39
▸ FFAR1 O14842 10/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MEN1 O00255 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MAPK1 P28482 2/20 0.31
▸ GAA P10253 1/20 0.31
▸ CTSA P10619 1/20 0.31

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
SCHEMBL21783919 1.00 IDO1 (0.39) IDO1FFAR1ALDH1A1MEN1MAPT
SCHEMBL21783901 0.92 ALDH1A1 (0.35) IDO1FFAR1ALDH1A1PTGS2SMN1; SMN2
SCHEMBL21783850 0.92 ALDH1A1 (0.35) IDO1FFAR1ALDH1A1PTGS2SMN1; SMN2
SCHEMBL21773813 0.87 IDO1 (0.35) IDO1FFAR1ALDH1A1SMN1; SMN2MAPK1
SCHEMBL21773747 0.87 IDO1 (0.35) IDO1FFAR1ALDH1A1SMN1; SMN2MAPK1
SCHEMBL21773901 0.87 IDO1 (0.35) IDO1FFAR1ALDH1A1SMN1; SMN2MAPK1
SCHEMBL21773745 0.87 IDO1 (0.35) IDO1FFAR1ALDH1A1SMN1; SMN2MAPK1
SCHEMBL21773815 0.87 IDO1 (0.35) IDO1FFAR1ALDH1A1SMN1; SMN2MAPK1
SCHEMBL21773749 0.87 IDO1 (0.35) IDO1FFAR1ALDH1A1SMN1; SMN2MAPK1
SCHEMBL21773948 0.87 IDO1 (0.35) IDO1FFAR1ALDH1A1SMN1; SMN2MAPK1

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 IDO1 1/4885FFAR1 3772/4885ALDH1A1 952/4885
US-20200069695-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT IDO1 1/4885FFAR1 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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