SCHEMBL875478

SCHEMBL875478

COc1cccc(-c2ccc(S(=O)(=O)C(CCn3nnc4ccccc4c3=O)C(=O)O)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.52
MMP9 P14780 6/20 0.52
MMP1 P03956 3/20 0.50
MMP3 P08254 3/20 0.50
MMP13 P45452 3/20 0.50
TSHR P16473 2/20 0.50
NPSR1 Q6W5P4 2/20 0.46
GPR139 Q6DWJ6 4/20 0.46
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HPGD P15428 1/20 0.43

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
SCHEMBL877450 0.87 MMP2 (0.56) MMP2MMP9MMP1MMP3MMP13
SCHEMBL875006 0.87 MMP2 (0.56) MMP2MMP9MMP1MMP3MMP13
SCHEMBL875118 0.86 TSHR (0.52) MMP2TSHRGPR139KMT2AKDM4E
SCHEMBL15735146 0.84 MMP2 (0.54) MMP2MMP9MMP1MMP3MMP13
SCHEMBL877315 0.84 LMNA (0.47) TSHRGPR139KMT2AKDM4EHPGD
SCHEMBL877073 0.84 MMP2 (0.48) MMP2MMP9MMP1MMP3MMP13
SCHEMBL877413 0.84 MMP2 (0.50) MMP2MMP9MMP1MMP3MMP13
SCHEMBL874823 0.84 MMP2 (0.61) MMP2MMP9MMP1MMP3MMP13
SCHEMBL877641 0.84 MMP2 (0.49) MMP2MMP9MMP1MMP3MMP13
SCHEMBL876989 0.84 MMP2 (0.49) MMP2MMP9MMP1MMP3MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140148459-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2014-05-29 US claimed
EP-2619185-A1 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2013-07-31 EP claimed
WO-2012038942-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-03-29 WO claimed
US-20140148459-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2014-05-29 US disclosed
US-20130264547-A1 MATERIALS FOR AN ORGANIC ELECTROLUMINESCENCE ELEMENT, ELECTROLUMINESCENT, DISPLAY AND ILLUMINATING DEVICES USING THE ELEMENTS UDC IRELAND LIMITED (IE) 2013-10-10 US disclosed
EP-2619185-A1 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2013-07-31 EP disclosed
WO-2012038942-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-03-29 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-20140148459-A1 MATRIX METALLOPROTEINASE INHIBITORS MMP9, MMP12, MMP10 MMP2 17/4885MMP9 1/4885MMP1 13/4885

“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.