SCHEMBL6389352

SCHEMBL6389352

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

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.49
CA9 Q16790 1/20 0.49
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CHRM2 P08172 2/20 0.43
ALDH1A1 P00352 2/20 0.43
DRD3 P35462 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ELANE P08246 1/20 0.40
GAA P10253 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40

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
SCHEMBL28655810 0.80 CA12 (0.55) CA12CA9MEN1KMT2ANPC1
SCHEMBL28650967 0.76 CA12 (0.50) CA12CA9MEN1KMT2ANPC1
SCHEMBL3170290 0.74 ALDH1A1 (0.52) CA12CA9MEN1KMT2ACHRM2
SCHEMBL13484325 0.74 ALDH1A1 (0.52) CA12CA9MEN1KMT2ACHRM2
SCHEMBL5962347 0.74 CHRM2 (0.54) CA12CA9MEN1KMT2ACHRM2
SCHEMBL9625482 0.74 CHRM2 (0.63) MEN1KMT2ACHRM2ALDH1A1
SCHEMBL31385569 0.73 CA12 (0.55) CA12CA9MEN1KMT2ANPC1
SCHEMBL291933 0.73 CA12 (0.55) CA12CA9MEN1KMT2ANPC1
SCHEMBL7286379 0.72 CHRM2 (0.53) CA12CA9MEN1KMT2ACHRM2
SCHEMBL14908703 0.72 CA12 (0.42) CA12CA9MEN1KMT2ANPC1

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 581/4885MEN1 3614/4885
US-20030199520-A1 Sulfonamide hydroxamates MMP3, TIMP3, MMP13 CA12 126/4885CA9 122/4885MEN1 3717/4885

“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.