SCHEMBL6322605

SCHEMBL6322605

CCCCOc1ccc(S(=O)(=O)N(CCS)Cc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.58
HTR2A P28223 1/20 0.52
HTR2C P28335 1/20 0.52
SLC6A4 P31645 1/20 0.52
BMP1 P13497 1/20 0.52
PTPN1 P18031 1/20 0.52
CNR1 P21554 1/20 0.50
MMP9 P14780 1/20 0.49
MMP13 P45452 1/20 0.49
ADAM17 P78536 1/20 0.49
TAS2R14 Q9NYV8 4/20 0.49
RXFP1 Q9HBX9 1/20 0.49
GAA P10253 1/20 0.49
PTGES O14684 1/20 0.48
TAS2R8 Q9NYW2 1/20 0.48
CXCR3 P49682 1/20 0.48

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
SCHEMBL6322368 0.88 CNR2 (0.58) CNR2BMP1PTPN1CNR1MMP9
SCHEMBL6324095 0.85 TAS2R14 (0.65) CNR2HTR2AHTR2CSLC6A4BMP1
SCHEMBL1682448 0.81 LTA4H (0.54) CNR2CNR1RXFP1GAA
SCHEMBL28940689 0.80 CNR2 (0.54) CNR2HTR2AHTR2CPTPN1CNR1
SCHEMBL15677741 0.79 RXFP1 (0.63) CNR2HTR2AHTR2CSLC6A4BMP1
SCHEMBL1682452 0.77 ALDH1A1 (0.47) CNR2HTR2AHTR2CRXFP1GAA
SCHEMBL1615044 0.76 TAS2R14 (0.77) TAS2R14PTGESTAS2R8CXCR3
SCHEMBL1682442 0.76 HTR2A (0.46) CNR2HTR2AHTR2CBMP1PTPN1
SCHEMBL6322372 0.76 MMP9 (0.62) CNR2BMP1PTPN1MMP9MMP13
SCHEMBL13911246 0.75 GAA (0.67) CNR2HTR2AHTR2CSLC6A4CNR1

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-20050014840-A1 Thiol sulfonamide metalloprotease inhibitors PHARMACIA CORPORATION 2005-01-20 US disclosed
US-6747027-B1 SELECTIVELY INHIBITS IN VITRO ACTIVITY OF HUMAN MATRIX METALLOPROTEASE-13 OVER IN VITRO ACTIVITY OF HUMAN MATRIX METALLOPROTEASE-1 PHARMACIA CORPORATION 2004-06-08 US disclosed
EP-0939629-A4 THIOL SULFONAMIDE METALLOPROTEASE INHIBITORS MONSANTO CO (US) 2002-07-17 EP disclosed
CN-1238688-A Thiol sulfonamide metalloprotease inhibitors MONSANTO CO (US) 1999-12-15 CN disclosed
EP-0939629-A1 THIOL SULFONAMIDE METALLOPROTEASE INHIBITORS MONSANTO COMPANY (US) 1999-09-08 EP disclosed
WO-1998003166-A1 THIOL SULFONAMIDE METALLOPROTEASE INHIBITORS MONSANTO COMPANY (US) 1998-01-29 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 (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-20050014840-A1 Thiol sulfonamide metalloprotease inhibitors MMP12, MMP13, MMP3 CNR2 4079/4885HTR2A 3542/4885HTR2C 4165/4885

“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.