SCHEMBL4289945

SCHEMBL4289945

O=S(=O)(CCC1CS1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 19/20 0.74
MMP9 P14780 19/20 0.74
MMP14 P50281 15/20 0.74
MMP8 P22894 10/20 0.74
MMP3 P08254 8/20 0.74
MMP7 P09237 4/20 0.74
MMP1 P03956 2/20 0.74
ADAM17 P78536 1/20 0.74
MMP13 P45452 1/20 0.56

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
SCHEMBL1529242 0.92 MMP2 (0.70) MMP2MMP9MMP14MMP8MMP3
SCHEMBL2684163 0.85 MMP2 (1.00) MMP2MMP9MMP14MMP8MMP3
SCHEMBL4294057 0.79 MMP1 (0.56) MMP2MMP9MMP14MMP8MMP3
SCHEMBL10238440 0.75 MMP2 (0.80) MMP2MMP9MMP14MMP8MMP3
SCHEMBL4290210 0.74 MMP1 (0.61) MMP2MMP9MMP14MMP8MMP3
SCHEMBL10238448 0.74 MMP2 (0.78) MMP2MMP9MMP14MMP8MMP3
SCHEMBL12020262 0.73 MMP2 (0.69) MMP2MMP9MMP14MMP8MMP3
SCHEMBL2380308 0.72 MMP2 (0.76) MMP2MMP9MMP14MMP8MMP3
SCHEMBL10238449 0.72 MMP2 (0.74) MMP2MMP9MMP14MMP8MMP3
SCHEMBL7207010 0.72 MMP1 (0.62) MMP2MMP9MMP14MMP8MMP3

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090209615-A1 INHIBITORS OF MATRIX METALLOPROTEINASES TO TREAT NEUROLOGICAL DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-08-20 US disclosed
US-7144917-B2 Inhibitors of matrix metalloproteinases WAYNE STATE UNIVERSITY (US) 2006-12-05 US disclosed
WO-2006036928-A2 INHIBITORS OF MATRIX METALLOPROTEINASES TO TREAT NEUROLOGICAL DISORDERS WAYNE STATE UNIVERSITY (US) 2006-04-06 WO disclosed
EP-1309579-B1 INHIBITORS OF MATRIX METALLOPROTEINASES UNIV WAYNE STATE (US) 2005-10-12 EP disclosed
US-20040127478-A1 Inhibitors of matrix metalloproteinases WAYNE STATE UNIVERSITY 2004-07-01 US disclosed
US-6703415-B2 EPOXIDES OR THIIRANE DERIVATIVES; TREATING OR PREVENTING CANCER, ANGIOGENESIS, ARTHRITIS, CONNECTIVE TISSUE DISEASE, CARDIOVASCULAR DISEASE, INFLAMMATION OR AUTOIMMUNE DISEASE; ANTIFERTILITY AGENTS WAYNE STATE UNIVERSITY 2004-03-09 US disclosed
EP-1309579-A1 INHIBITORS OF MATRIX METALLOPROTEINASES BOARD OF GOVERNORS OF WAYNE STATE UNIVERSITY (US) 2003-05-14 EP disclosed
US-20020037916-A1 Inhibitors of matrix metallaproteinases UNITED STATES GOVERNMENT SECRETARY OF THE ARMY, THE 2002-03-28 US disclosed
WO-2001092244-A1 INHIBITORS OF MATRIX METALLOPROTEINASES WAYNE STATE UNIVERSITY (US) 2001-12-06 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 (3 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-20020037916-A1 Inhibitors of matrix metallaproteinases MMP12, MMP1, MMP3 MMP2 20/4885MMP9 6/4885MMP14 9/4885
US-20090209615-A1 INHIBITORS OF MATRIX METALLOPROTEINASES TO TREAT NEUROLOGICAL DISORDERS MMP9, MMP10, MMP17 MMP2 13/4885MMP9 1/4885MMP14 8/4885
US-20040127478-A1 Inhibitors of matrix metalloproteinases MMP1, MMP9, MMP3 MMP2 21/4885MMP9 2/4885MMP14 11/4885

“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.