SCHEMBL1186253

SCHEMBL1186253

CC(C)(C)C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 12/20 0.59
ADAMTS5 Q9UNA0 1/20 0.59
MMP9 P14780 10/20 0.53
MMP13 P45452 4/20 0.53
MMP1 P03956 3/20 0.53
MMP3 P08254 2/20 0.53
MMP7 P09237 2/20 0.53
SLC1A3 P43003 1/20 0.52
SLC1A2 P43004 1/20 0.52
SLC1A1 P43005 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
GRN P28799 1/20 0.48
SORT1 Q99523 1/20 0.48
ADAMTS4 O75173 1/20 0.48
MMP8 P22894 2/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL1185526 1.00 MMP2 (0.59) MMP2ADAMTS5MMP9MMP13MMP1
SCHEMBL14602226 0.96 MMP2 (0.65) MMP2ADAMTS5MMP9MMP13MMP1
SCHEMBL1876098 0.89 MMP2 (0.60) MMP2ADAMTS5MMP9MMP13MMP1
SCHEMBL5875639 0.84 MMP2 (0.60) MMP2ADAMTS5MMP9MMP13MMP1
SCHEMBL8839754 0.84 MMP2 (0.60) MMP2ADAMTS5MMP9MMP13MMP1
SCHEMBL8839630 0.84 MMP2 (0.63) MMP2ADAMTS5MMP9MMP13MMP1
SCHEMBL8839634 0.84 MMP2 (0.63) MMP2ADAMTS5MMP9MMP13MMP1
SCHEMBL8839423 0.82 MMP2 (0.64) MMP2ADAMTS5MMP9MMP13MMP1
SCHEMBL8839436 0.82 MMP2 (0.64) MMP2ADAMTS5MMP9MMP13MMP1
SCHEMBL7062306 0.81 MMP2 (0.69) MMP2ADAMTS5MMP9MMP13MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8049006-B2 7-membered ring compound and method of production and pharmaceutical application thereof DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-11-01 US disclosed
US-20110166342-A1 7-MEMBERED RING COMPOUND AND METHOD OF PRODUCTION AND PHARMACEUTICAL APPLICATION THEREOF DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-07-07 US disclosed
US-7888348-B2 7-membered ring compound and method of production and pharmaceutical application thereof DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-02-15 US 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-20110166342-A1 7-MEMBERED RING COMPOUND AND METHOD OF PRODUCTION AND PHARMACEUTICAL APPLICATION THEREOF CMA1, CPA3, SI MMP2 64/4885ADAMTS5 127/4885MMP9 62/4885

“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.