SCHEMBL17897073

SCHEMBL17897073

O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)Nc1ccc2c(C(F)(F)F)c(CC(=O)NCCCCN=C=S)c(=O)[nH]c2c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 7/20 0.35
▸ NFE2L2 Q16236 7/20 0.35
▸ CA1 P00915 11/20 0.33
▸ CA2 P00918 11/20 0.33
▸ CA4 P22748 6/20 0.33
▸ CA12 O43570 4/20 0.33
▸ CA9 Q16790 4/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TERT O14746 1/20 0.32

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
SCHEMBL17897072 0.90 CA1 (0.36) CA1CA2CA4CA12CA9
SCHEMBL15161173 0.81 CA1 (0.42) CA1CA2CA4CA12CA9
SCHEMBL17897093 0.80 KEAP1 (0.39) KEAP1NFE2L2KDM4EALDH1A1HPGD
SCHEMBL19234764 0.76 TERT (0.43) CA1CA2CA4CA12CA9
SCHEMBL17897081 0.73 CA1 (0.39) CA1CA2CA4CA12CA9
SCHEMBL15159292 0.73 CA1 (0.42) CA1CA2CA4CA12CA9
SCHEMBL19274958 0.70 AR (0.35) CA1CA2CA4CA12CA9
SCHEMBL17897078 0.67 KDM4E (0.41) CA1CA2CA4CA12CA9
SCHEMBL17897074 0.66 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL15159301 0.66 CA1 (0.38) CA1CA2CA4CA12CA9

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-9732378-B2 Fluorophore chelated lanthanide luminescent probes with improved quantum efficiency RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-08-15 — — US disclosed
US-20160194690-A1 FLUOROPHORE CHELATED LANTHANIDE LUMINESCENT PROBES WITH IMPROVED QUANTUM EFFICIENCY RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-07-07 — — 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 (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-20160194690-A1 FLUOROPHORE CHELATED LANTHANIDE LUMINESCENT PROBES WITH IMPROVED QUANTUM EFFICIENCY CLTA, LARS1, SSB KEAP1 926/4885NFE2L2 3925/4885CA1 335/4885

“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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