SCHEMBL6322372

SCHEMBL6322372

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

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 7/20 0.62
MMP2 P08253 6/20 0.62
MMP8 P22894 5/20 0.62
MMP13 P45452 5/20 0.58
ADAM17 P78536 1/20 0.52
PTPN1 P18031 2/20 0.49
CNR2 P34972 2/20 0.49
HTT P42858 1/20 0.49
TAS2R14 Q9NYV8 1/20 0.48
MMP3 P08254 2/20 0.48
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
TSHR P16473 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
BMP1 P13497 1/20 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
SCHEMBL6322381 0.85 TAS2R14 (0.64) MMP9MMP2MMP8CNR2HTT
SCHEMBL6322368 0.78 CNR2 (0.58) MMP9MMP2MMP8MMP13ADAM17
SCHEMBL28940689 0.78 CNR2 (0.54) MMP9MMP2MMP8MMP13ADAM17
SCHEMBL13640662 0.77 MMP9 (0.62) MMP9MMP2MMP8MMP13ADAM17
SCHEMBL13640657 0.77 MMP9 (0.62) MMP9MMP2MMP8MMP13ADAM17
SCHEMBL6322605 0.76 CNR2 (0.58) MMP9MMP13ADAM17PTPN1CNR2
SCHEMBL13640694 0.75 MMP9 (0.56) MMP9MMP2MMP8MMP13ADAM17
SCHEMBL29422536 0.74 MMP2 (1.00) MMP9MMP2MMP8MMP13ADAM17
SCHEMBL7343979 0.72 KEAP1 (0.81) MMP9MMP2MMP8TAS2R14BMP1
SCHEMBL6325795 0.72 TAS2R14 (0.61) MMP9MMP2MMP8MMP13CNR2

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 5 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
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 MMP9 11/4885MMP2 26/4885MMP8 34/4885

“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.