SCHEMBL21773897

SCHEMBL21773897

CCC(CC(=O)OC)c1ccc(C(OC)C(F)(F)F)c(N)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 6/20 0.35
▸ F10 P00742 6/20 0.35
▸ PRSS1 P07477 5/20 0.35
▸ PDE4A P27815 4/20 0.34
▸ PDE4B Q07343 4/20 0.34
▸ PDE4C Q08493 4/20 0.34
▸ PDE4D Q08499 4/20 0.34
▸ TNF P01375 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ GAA P10253 2/20 0.32
▸ FFAR1 O14842 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ GFER P55789 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
SCHEMBL21773913 0.91 PDE4A (0.35) F2F10PRSS1PDE4APDE4B
SCHEMBL21783923 0.89 GAA (0.42) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL21783872 0.89 GAA (0.42) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL21783875 0.83 GAA (0.33) GAAFFAR1
SCHEMBL21773886 0.82 F2 (0.33) F2F10PRSS1PDE4APDE4B
SCHEMBL21773911 0.80 F2 (0.36) F2F10PRSS1PDE4APDE4B
SCHEMBL21773912 0.80 F2 (0.36) F2F10PRSS1PDE4APDE4B
SCHEMBL21783913 0.79 GAA (0.39) GAAFFAR1
SCHEMBL21783849 0.79 GAA (0.39) GAAFFAR1
SCHEMBL21775084 0.76 F2 (0.39) F2F10PRSS1PDE4APDE4B

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 F2 4265/4885F10 4786/4885PRSS1 720/4885
US-20200069695-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT F2 4265/4885F10 4786/4885PRSS1 720/4885

“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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