SCHEMBL4290210

SCHEMBL4290210

O=S(=O)(CCCC1CO1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 5/20 0.61
MMP3 P08254 4/20 0.61
MMP13 P45452 3/20 0.61
MMP8 P22894 2/20 0.61
MMP2 P08253 5/20 0.51
MMP9 P14780 3/20 0.51
MMP14 P50281 2/20 0.51
MMP7 P09237 1/20 0.51
ADAM17 P78536 1/20 0.51
LMNA P02545 6/20 0.46
HTT P42858 4/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
SOS1 Q07889 1/20 0.44
ALDH1A1 P00352 2/20 0.42
GAA P10253 2/20 0.42
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL4294057 0.92 MMP1 (0.56) MMP1MMP3MMP13MMP8MMP2
SCHEMBL4292169 0.82 MMP2 (0.67) MMP1MMP3MMP13MMP8MMP2
SCHEMBL1529242 0.81 MMP2 (0.70) MMP1MMP3MMP13MMP8MMP2
SCHEMBL28762826 0.77 KMT2A (0.49) LMNAKMT2AMEN1ALDH1A1GAA
SCHEMBL7212133 0.76 MMP1 (0.71) MMP1MMP3MMP13MMP8MMP2
SCHEMBL7208687 0.76 MMP13 (1.00) MMP1MMP3MMP13MMP8MMP2
SCHEMBL4289945 0.74 MMP2 (0.74) MMP1MMP3MMP13MMP8MMP2
SCHEMBL12020262 0.71 MMP2 (0.69) MMP1MMP3MMP13MMP8MMP2
SCHEMBL28357379 0.70 MMP13 (0.62) MMP1MMP3MMP13MMP8MMP2
SCHEMBL12717370 0.70 FFAR1 (0.56) MMP1MMP3MMP13MMP8MMP2

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 11 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
EP-2041142-A1 SPIROCYCLIC AZAINDOLE DERIVATIVES Grünenthal GmbH (DE) 2009-04-01 EP disclosed
WO-2008009416-A1 SPIROCYCLIC AZAINDOLE DERIVATIVES Grünenthal GmbH (DE) 2008-01-24 WO 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 MMP1 2/4885MMP3 3/4885MMP13 8/4885
US-20090209615-A1 INHIBITORS OF MATRIX METALLOPROTEINASES TO TREAT NEUROLOGICAL DISORDERS MMP9, MMP10, MMP17 MMP1 16/4885MMP3 5/4885MMP13 12/4885
US-20040127478-A1 Inhibitors of matrix metalloproteinases MMP1, MMP9, MMP3 MMP1 1/4885MMP3 3/4885MMP13 6/4885

“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.