SCHEMBL21783868

SCHEMBL21783868

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 9/20 0.39
▸ GAA P10253 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ FNTA P49354 1/20 0.35
▸ FNTB P49356 1/20 0.35
▸ PDE4A P27815 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ PDE4C Q08493 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ PTGS2 P35354 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ GABBR2 O75899 1/20 0.33
▸ GABBR1 Q9UBS5 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPT P10636 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
SCHEMBL21783846 0.85 FFAR1 (0.36) FFAR1GAASMN1; SMN2FNTAFNTB
SCHEMBL21783914 0.85 FFAR1 (0.36) FFAR1GAASMN1; SMN2FNTAFNTB
SCHEMBL21783855 0.83 IDO1 (0.49) FFAR1GAASMN1; SMN2FNTAFNTB
SCHEMBL21783917 0.82 GAA (0.41) FFAR1GAAALDH1A1HSD17B10GABBR2
SCHEMBL21783879 0.82 GAA (0.41) FFAR1GAAALDH1A1HSD17B10GABBR2
SCHEMBL21783871 0.77 FFAR1 (0.39) FFAR1GAASMN1; SMN2PDE4APDE4B
SCHEMBL21783861 0.76 FFAR1 (0.35) FFAR1GAASMN1; SMN2FNTAFNTB
SCHEMBL21783840 0.76 FFAR1 (0.38) FFAR1GAASMN1; SMN2PTGS2ALDH1A1
SCHEMBL21783916 0.76 FFAR1 (0.38) FFAR1GAASMN1; SMN2PTGS2ALDH1A1
SCHEMBL21783920 0.72 GAA (0.39) FFAR1GAAALDH1A1GABBR2GABBR1

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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