SCHEMBL6325896

SCHEMBL6325896

C[C@H](CO)N(C)S(=O)(=O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 2/20 0.56
MMP13 P45452 2/20 0.56
MMP2 P08253 2/20 0.56
MMP14 P50281 1/20 0.56
ADAMTS5 Q9UNA0 1/20 0.56
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA9 Q16790 2/20 0.52
CA12 O43570 1/20 0.52
CA4 P22748 1/20 0.52
CA5A P35218 1/20 0.52
CA7 P43166 1/20 0.52
CA5B Q9Y2D0 1/20 0.52
KEAP1 Q14145 1/20 0.52
MAOB P27338 1/20 0.51
AR P10275 3/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PTGES O14684 1/20 0.48
KCNH2 Q12809 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
SCHEMBL6325894 1.00 ADAMTS4 (0.56) ADAMTS4MMP13MMP2MMP14ADAMTS5
SCHEMBL6324817 0.84 LMNA (0.60) MMP13MMP2MMP14MEN1KMT2A
SCHEMBL6324814 0.84 LMNA (0.60) MMP13MMP2MMP14MEN1KMT2A
SCHEMBL6330960 0.82 CA12 (0.49) MMP13MMP2MMP14CA1CA2
SCHEMBL6330962 0.82 CA12 (0.49) MMP13MMP2MMP14CA1CA2
SCHEMBL6325897 0.81 MMP2 (0.60) ADAMTS4MMP13MMP2MMP14ADAMTS5
SCHEMBL6323456 0.80 CA12 (0.51) MMP13MMP2MMP14CA1CA2
SCHEMBL6323458 0.80 CA12 (0.51) MMP13MMP2MMP14CA1CA2
SCHEMBL6323684 0.79 ADAMTS4 (0.62) ADAMTS4MMP13MMP2MMP14ADAMTS5
SCHEMBL6325694 0.79 MEN1 (0.57) MMP13MMP2MMP14KEAP1MEN1

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 ADAMTS4 33/4885MMP13 2/4885MMP2 26/4885

“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.