SCHEMBL17132812

SCHEMBL17132812

[2H]C([2H])(NC(=O)c1cc(C(=O)NCc2cccc(C)c2)ncn1)c1ccc(C(=O)OC(C)(C)C)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 6/20 0.64
MMP10 P09238 1/20 0.55
MMP9 P14780 1/20 0.55
MMP8 P22894 1/20 0.55
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
DDT P30046 3/20 0.39
HRH4 Q9H3N8 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
PPARG P37231 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
SMO Q99835 1/20 0.38
POLB P06746 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL17132813 0.95 MMP13 (0.56) MMP13MMP10MMP9MMP8KDM4E
SCHEMBL17132800 0.90 MMP13 (0.69) MMP13MMP10MMP9MMP8KDM4E
SCHEMBL17132785 0.86 MMP13 (0.66) MMP13MMP10MMP9MMP8KDM4E
SCHEMBL17132750 0.86 MMP13 (0.72) MMP13MMP10MMP9MMP8KDM4E
SCHEMBL17132815 0.86 MMP13 (0.73) MMP13MMP10MMP9MMP8KDM4E
SCHEMBL17132809 0.86 MMP13 (0.76) MMP13MMP10MMP9MMP8SMO
SCHEMBL17132756 0.86 MMP13 (0.79) MMP13MMP10MMP9MMP8KDM4E
SCHEMBL17132791 0.85 MMP13 (0.60) MMP13MMP10MMP9MMP8ALDH1A1
SCHEMBL17132781 0.83 MMP13 (0.77) MMP13MMP10MMP9MMP8KDM4E
SCHEMBL17132810 0.82 MMP13 (0.70) MMP13MMP10MMP9MMP8SMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9505743-B2 Matrix metalloproteinase inhibitors and methods for the treatment of pain and other diseases AQUILUS PHARMACEUTICALS INC (US) 2016-11-29 US disclosed
US-20150274702-A1 MATRIX METALLOPROTEINASE INHIBITORS AND METHODS FOR THE TREATMENT OF PAIN AND OTHER DISEASES SUCHOLEIKI IRVING (US) 2015-10-01 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-20150274702-A1 MATRIX METALLOPROTEINASE INHIBITORS AND METHODS FOR THE TREATMENT OF PAIN AND OTHER DISEASES MMP13, MMP3, MMP9 MMP13 1/4885MMP10 8/4885MMP9 3/4885

“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.