SCHEMBL21783861

SCHEMBL21783861

CCO[C@H](c1ccc([C@@H](COC)CC(=O)O)cc1NC(N)=O)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 9/20 0.35
▸ GAA P10253 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PPARG P37231 1/20 0.32
▸ KLKB1 P03952 1/20 0.32
▸ PDE4A P27815 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4C Q08493 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ HTT P42858 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ FNTA P49354 1/20 0.31
▸ FNTB P49356 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ MAPT P10636 1/20 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
SCHEMBL21783914 0.91 FFAR1 (0.36) FFAR1GAASMN1; SMN2PPARGKLKB1
SCHEMBL21783846 0.91 FFAR1 (0.36) FFAR1GAASMN1; SMN2PPARGKLKB1
SCHEMBL21773625 0.85 IDO1 (0.42) FFAR1SMN1; SMN2HTTFNTAFNTB
SCHEMBL21773873 0.85 IDO1 (0.42) FFAR1SMN1; SMN2HTTFNTAFNTB
SCHEMBL21773627 0.85 IDO1 (0.42) FFAR1SMN1; SMN2HTTFNTAFNTB
SCHEMBL21773629 0.85 IDO1 (0.42) FFAR1SMN1; SMN2HTTFNTAFNTB
SCHEMBL21783885 0.85 GAA (0.37) FFAR1GAAPPARGALDH1A1
SCHEMBL29407384 0.83 MEN1 (0.41) FFAR1SMN1; SMN2HTTALDH1A1NPC1
SCHEMBL29407078 0.83 MEN1 (0.41) FFAR1SMN1; SMN2HTTALDH1A1NPC1
SCHEMBL21773711 0.83 FNTA (0.38) FFAR1FNTAFNTBMAPT

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 FFAR1 3772/4885GAA 316/4885SMN1; SMN2 3908/4885
US-20200069695-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT FFAR1 3772/4885GAA 316/4885SMN1; SMN2 3908/4885

“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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