SCHEMBL21773836

SCHEMBL21773836

CCOc1ncc(Nc2cc([C@@H](CC)CC(=O)O)ccc2[C@H](OCC)C(F)(F)F)cn1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 14/20 0.34
▸ PPARG P37231 1/20 0.33
▸ ACACB O00763 1/20 0.32
▸ PTGS2 P35354 3/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ GAA P10253 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
SCHEMBL29406808 1.00 FFAR1 (0.34) FFAR1PPARGACACBPTGS2SMN1; SMN2
SCHEMBL29406794 1.00 FFAR1 (0.34) FFAR1PPARGACACBPTGS2SMN1; SMN2
SCHEMBL29405108 1.00 FFAR1 (0.34) FFAR1PPARGACACBPTGS2SMN1; SMN2
SCHEMBL21773840 1.00 FFAR1 (0.34) FFAR1PPARGACACBPTGS2SMN1; SMN2
SCHEMBL21773719 1.00 FFAR1 (0.34) FFAR1PPARGACACBPTGS2SMN1; SMN2
SCHEMBL21773786 1.00 FFAR1 (0.34) FFAR1PPARGACACBPTGS2SMN1; SMN2
SCHEMBL21773721 1.00 FFAR1 (0.34) FFAR1PPARGACACBPTGS2SMN1; SMN2
SCHEMBL21773838 1.00 FFAR1 (0.34) FFAR1PPARGACACBPTGS2SMN1; SMN2
SCHEMBL21773717 1.00 FFAR1 (0.34) FFAR1PPARGACACBPTGS2SMN1; SMN2
SCHEMBL29406444 1.00 FFAR1 (0.34) FFAR1PPARGACACBPTGS2SMN1; SMN2

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 4 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 claimed
US-20200069695-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL MYERS SQUIBB CO (US) 2020-03-05 — — US claimed
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 3772/4885PPARG 3130/4885ACACB 267/4885
US-20200069695-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT FFAR1 3772/4885PPARG 3130/4885ACACB 267/4885

“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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