SCHEMBL21783871

SCHEMBL21783871

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 6/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ PTGS2 P35354 2/20 0.34
▸ KMT2A Q03164 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ IDO1 P14902 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 2/20 0.32
▸ ACACB O00763 1/20 0.31
▸ ITGB3 P05106 1/20 0.31
▸ ITGAV P06756 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
SCHEMBL21783901 0.93 ALDH1A1 (0.35) FFAR1SMN1; SMN2GAAALDH1A1PTGS2
SCHEMBL21783850 0.93 ALDH1A1 (0.35) FFAR1SMN1; SMN2GAAALDH1A1PTGS2
SCHEMBL21783916 0.89 FFAR1 (0.38) FFAR1SMN1; SMN2GAAALDH1A1PTGS2
SCHEMBL21783840 0.89 FFAR1 (0.38) FFAR1SMN1; SMN2GAAALDH1A1PTGS2
SCHEMBL21773657 0.87 FFAR1 (0.37) FFAR1SMN1; SMN2GAAALDH1A1PTGS2
SCHEMBL21773659 0.87 FFAR1 (0.37) FFAR1SMN1; SMN2GAAALDH1A1PTGS2
SCHEMBL21773670 0.87 FFAR1 (0.37) FFAR1SMN1; SMN2GAAALDH1A1PTGS2
SCHEMBL21773825 0.87 FFAR1 (0.37) FFAR1SMN1; SMN2GAAALDH1A1PTGS2
SCHEMBL21773845 0.87 FFAR1 (0.37) FFAR1SMN1; SMN2GAAALDH1A1PTGS2
SCHEMBL21773673 0.87 FFAR1 (0.37) FFAR1SMN1; SMN2GAAALDH1A1PTGS2

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

“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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