SCHEMBL29404726

SCHEMBL29404726

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

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.35
▸ FFAR1 O14842 10/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ MAPK1 P28482 4/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ CTSA P10619 2/20 0.30

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
SCHEMBL29407158 1.00 IDO1 (0.35) IDO1FFAR1ALDH1A1PPARGMAPK1
SCHEMBL21773749 1.00 IDO1 (0.35) IDO1FFAR1ALDH1A1PPARGMAPK1
SCHEMBL21773745 1.00 IDO1 (0.35) IDO1FFAR1ALDH1A1PPARGMAPK1
SCHEMBL21773901 1.00 IDO1 (0.35) IDO1FFAR1ALDH1A1PPARGMAPK1
SCHEMBL21773815 1.00 IDO1 (0.35) IDO1FFAR1ALDH1A1PPARGMAPK1
SCHEMBL21773813 1.00 IDO1 (0.35) IDO1FFAR1ALDH1A1PPARGMAPK1
SCHEMBL21773948 1.00 IDO1 (0.35) IDO1FFAR1ALDH1A1PPARGMAPK1
SCHEMBL21773747 1.00 IDO1 (0.35) IDO1FFAR1ALDH1A1PPARGMAPK1
SCHEMBL21773837 0.92 ALDH1A1 (0.33) FFAR1ALDH1A1PPARGMAPK1SMN1; SMN2
SCHEMBL21773810 0.92 IDO1 (0.37) IDO1FFAR1PPARGSMN1; SMN2CTSA

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-11253525-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use BRISTOL-MYERS SQUIBB COMPANY (US) 2022-02-22 — — 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-11253525-B2 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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