SCHEMBL5405717

SCHEMBL5405717

O=C(C[C@H](NC(=O)OCCl)C(=O)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 7/20 0.52
▸ MMP9 P14780 1/20 0.47
▸ CTSK P43235 3/20 0.47
▸ TACR1 P25103 2/20 0.47
▸ IDO1 P14902 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ CTSL P07711 1/20 0.46
▸ CTSB P07858 1/20 0.46
▸ CTSS P25774 1/20 0.46
▸ KLK7 P49862 1/20 0.46
▸ KLK5 Q9Y337 1/20 0.46
▸ CTRB1 P17538 2/20 0.46

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
SCHEMBL9312398 0.92 CASP1 (0.60) CASP1CTSKTACR1IDO1ALDH1A1
SCHEMBL8765627 0.92 CASP1 (0.60) CASP1CTSKTACR1IDO1ALDH1A1
SCHEMBL15254319 0.87 CASP1 (0.50) CASP1CTSKTACR1IDO1ALDH1A1
SCHEMBL5408318 0.87 CASP1 (0.50) CASP1CTSKTACR1IDO1ALDH1A1
SCHEMBL25491977 0.86 MMP9 (0.52) CASP1MMP9CTSKTACR1ALDH1A1
SCHEMBL9681600 0.85 MMP9 (0.48) CASP1MMP9TACR1ALDH1A1MAPK1
SCHEMBL14177313 0.84 ALDH1A1 (0.53) CASP1MMP9CTSKTACR1ALDH1A1
SCHEMBL28709501 0.84 ALDH1A1 (0.53) CASP1MMP9TACR1ALDH1A1MAPK1
SCHEMBL7583002 0.83 CASP1 (0.60) CASP1CTSKTACR1IDO1ALDH1A1
SCHEMBL2912589 0.83 CASP1 (0.60) CASP1CTSKTACR1IDO1ALDH1A1

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-7169803-B2 N-substituted prodrugs of fluorooxindoles BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-30 — — US disclosed
US-20050203089-A1 N-substituted prodrugs of fluorooxindoles BRISTOL-MYERS SQUIBB COMPANY 2005-09-15 — — 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-20050203089-A1 N-substituted prodrugs of fluorooxindoles KCNA5, KCNQ5, KCNQ2 CASP1 1558/4885MMP9 2979/4885CTSK 2532/4885

“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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