SCHEMBL6389641

SCHEMBL6389641

COC(=O)c1ccc(CN(C(C(=O)OCc2ccccc2)C(C)C)S(=O)(=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 6/20 0.58
BMP1 P13497 3/20 0.56
CXCR3 P49682 2/20 0.56
PTGES O14684 1/20 0.56
TAS2R8 Q9NYW2 1/20 0.56
MMP2 P08253 8/20 0.53
MMP9 P14780 8/20 0.53
MMP8 P22894 7/20 0.53
MMP13 P45452 6/20 0.52
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51

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
SCHEMBL6389646 1.00 TAS2R14 (0.58) TAS2R14BMP1CXCR3PTGESTAS2R8
SCHEMBL11956143 0.85 BMP1 (0.54) TAS2R14BMP1CXCR3PTGESTAS2R8
SCHEMBL5463131 0.85 BMP1 (0.54) TAS2R14BMP1CXCR3PTGESTAS2R8
SCHEMBL6388613 0.83 MMP2 (0.71) BMP1MMP2MMP9MMP8MMP13
SCHEMBL6388611 0.83 MMP2 (0.71) BMP1MMP2MMP9MMP8MMP13
SCHEMBL8016350 0.83 BMP1 (0.51) TAS2R14BMP1CXCR3PTGESTAS2R8
SCHEMBL7695749 0.83 MMP2 (0.58) TAS2R14CXCR3PTGESTAS2R8MMP2
SCHEMBL7695753 0.83 MMP2 (0.58) TAS2R14CXCR3PTGESTAS2R8MMP2
SCHEMBL7091056 0.81 MMP2 (0.76) TAS2R14BMP1CXCR3PTGESTAS2R8
SCHEMBL7091051 0.81 MMP2 (0.76) TAS2R14BMP1CXCR3PTGESTAS2R8

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 6 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

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 TAS2R14 4353/4885BMP1 1767/4885CXCR3 3962/4885
US-20030199520-A1 Sulfonamide hydroxamates MMP3, TIMP3, MMP13 TAS2R14 2214/4885BMP1 1730/4885CXCR3 551/4885

“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.