SCHEMBL6388656

SCHEMBL6388656

CC(C)(C)OC(=O)N[C@@](CN1C(=O)c2ccccc2C1=O)(C(=O)O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ AKT1 P31749 2/20 0.39
▸ MALT1 Q9UDY8 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CHRM2 P08172 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ CA14 Q9ULX7 1/20 0.37

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
SCHEMBL29348884 0.75 MEN1 (0.43) MALT1MEN1KMT2ANPC1RAB9A
SCHEMBL31068297 0.75 MEN1 (0.43) MALT1MEN1KMT2ANPC1RAB9A
SCHEMBL7973768 0.75 SMN1; SMN2 (0.44) KMT2ARAB9AALDH1A1MAPT
SCHEMBL31649285 0.73 PPARA (0.51) AKT1ALDH1A1
SCHEMBL1925782 0.73 MALT1 (0.41) AKT1MALT1
SCHEMBL7006722 0.72 MALT1 (0.54) AKT1MALT1
SCHEMBL28655810 0.72 CA12 (0.55) CA12CA9MEN1KMT2ANPC1
SCHEMBL31649054 0.72 AKT1 (0.49) AKT1ALDH1A1
SCHEMBL28538006 0.72 AKT1 (0.49) AKT1ALDH1A1
SCHEMBL22389024 0.71 KMT2A (0.56) CA12CA9MEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6844366-B2 Sulfonamide hydroxamates SYNTEX (U.S.A.) LLC (US) 2005-01-18 — — US disclosed
US-6787559-B2 HYDROXYCARBONYL OR ALKYLOXYCARBONYL OR AMINOHYDROXYCARBONYL SUBSTITUTED SULFONAMIDE COMPOUNDS USEFUL AS PROCOLLAGEN C-PROTENASE INHIBITOR SYNTEX (U.S.A.) LLC. 2004-09-07 — — US disclosed
EP-1149072-B1 SULFONAMIDE HYDROXAMATES HOFFMANN LA ROCHE (CH) 2004-06-30 — — EP disclosed
US-20030216405-A1 Hydroxycarbonyl or alkyloxycarbonyl or aminohydroxycarbonyl substituted sulfonamide compounds useful as procollagen C-protenase inhibitor BILLLEDEAU ROLAND JOSEPH (US) 2003-11-20 — — US disclosed
US-20030199520-A1 Sulfonamide hydroxamates BILLLEDEAU ROLAND JOSEPH (US) 2003-10-23 — — US disclosed
US-6492394-B1 PROCOLLAGEN C-PROTEINASE INHIBITORS; TREATING FIBROTIC DISEASES SYNTEX (U.S.A.) LLC 2002-12-10 — — US disclosed
EP-1149072-A1 SULFONAMIDE HYDROXAMATES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 — — EP disclosed
WO-2000037436-A1 SULFONAMIDE HYDROXAMATES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-29 — — WO 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-20030216405-A1 Hydroxycarbonyl or alkyloxycarbonyl or aminohydroxycarbonyl substituted sulfonamide compounds useful as procollagen C-protenase inhibitor CTSE, PREP, HPN CA12 1416/4885CA9 581/4885AKT1 4128/4885
US-20030199520-A1 Sulfonamide hydroxamates MMP3, TIMP3, MMP13 CA12 126/4885CA9 122/4885AKT1 4815/4885

“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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