SCHEMBL21783875

SCHEMBL21783875

CC[C@H](CCC(=O)O)c1ccc([C@@H](OC)C(F)(F)F)c(N)c1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.33
▸ DHFR P00374 1/20 0.32
▸ FFAR1 O14842 1/20 0.31
▸ AKR1B10 O60218 1/20 0.30
▸ AKR1C4 P17516 1/20 0.30
▸ AKR1C3 P42330 1/20 0.30
▸ AKR1C2 P52895 1/20 0.30
▸ AKR1C1 Q04828 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
SCHEMBL21783872 0.88 GAA (0.42) GAAFFAR1AKR1B10AKR1C4AKR1C3
SCHEMBL21783923 0.88 GAA (0.42) GAAFFAR1AKR1B10AKR1C4AKR1C3
SCHEMBL21773897 0.83 F2 (0.35) GAAFFAR1
SCHEMBL21783849 0.78 GAA (0.39) GAAFFAR1
SCHEMBL21783913 0.78 GAA (0.39) GAAFFAR1
SCHEMBL21773913 0.74 PDE4A (0.35) GAAFFAR1
SCHEMBL21783885 0.73 GAA (0.37) GAAFFAR1
SCHEMBL21783922 0.69 HSD17B10 (0.34) GAA
SCHEMBL22897752 0.67 ALDH1A1 (0.43) GAA
SCHEMBL29560011 0.67 ALDH1A1 (0.43) GAA

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 GAA 316/4885DHFR 329/4885FFAR1 3772/4885
US-20200069695-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT GAA 316/4885DHFR 329/4885FFAR1 3772/4885

“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.

Send feedback