SCHEMBL29868080

SCHEMBL29868080

CCC(CC(=O)O)c1ccc(-c2ccccc2C)cc1NC(N)=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC1A3 P43003 2/20 0.44
▸ SLC1A2 P43004 2/20 0.44
▸ SLC1A1 P43005 2/20 0.44
▸ CTSA P10619 4/20 0.42
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ MME P08473 1/20 0.41
▸ MCL1 Q07820 1/20 0.40
▸ FFAR1 O14842 2/20 0.39
▸ NR3C2 P08235 1/20 0.38
▸ ABL1 P00519 1/20 0.37
▸ NR1H4 Q96RI1 1/20 0.37
▸ ITGB1 P05556 3/20 0.36
▸ ITGA4 P13612 3/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ BACE1 P56817 1/20 0.35

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
SCHEMBL5151907 0.76 SUCNR1 (0.48) SLC1A3SLC1A2SLC1A1HDAC1HDAC2
SCHEMBL14081313 0.71 CTSA (0.45) CTSA
SCHEMBL21783868 0.70 FFAR1 (0.39) FFAR1PTGS2
SCHEMBL18201611 0.66 L3MBTL1 (0.41) CTSAFFAR1
SCHEMBL5151913 0.66 SUCNR1 (0.60) NR1H4PTGS2
SCHEMBL20545291 0.66 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1CTSAMME
SCHEMBL20545289 0.66 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1CTSAMME
SCHEMBL2470223 0.66 HDAC1 (0.53) SLC1A3SLC1A2SLC1A1HDAC1HDAC2
SCHEMBL20545547 0.65 CTSA (0.59) SLC1A3SLC1A2SLC1A1CTSAMCL1
SCHEMBL20545545 0.65 CTSA (0.59) SLC1A3SLC1A2SLC1A1CTSAMCL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11447449-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use BRISTOL-MYERS SQUIBB COMPANY (US) 2022-09-20 — — US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-11447449-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use IDO1, IDO2, INMT SLC1A3 1258/4885SLC1A2 541/4885SLC1A1 1028/4885

“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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