SCHEMBL134501

SCHEMBL134501

CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@@H](C(=O)NO)C(S)c1cccs1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 13/20 0.65
FCER2 P06734 11/20 0.65
MMP2 P08253 7/20 0.65
MMP3 P08254 6/20 0.65
MMP7 P09237 4/20 0.65
MMP8 P22894 3/20 0.65
ADAM17 P78536 3/20 0.65
MMP9 P14780 2/20 0.65
MMP13 P45452 2/20 0.65
MMP14 P50281 2/20 0.65
MMP12 P39900 1/20 0.60

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
SCHEMBL29441544 0.79 MMP1 (0.69) MMP1FCER2MMP2MMP3MMP7
SCHEMBL15505966 0.79 MMP1 (1.00) MMP1FCER2MMP2MMP3MMP7
Batimastat SCHEMBL17521974 0.79 MMP1 (1.00) MMP1FCER2MMP2MMP3MMP7
Batimastat SCHEMBL22803645 0.79 MMP1 (1.00) MMP1FCER2MMP2MMP3MMP7
Batimastat SCHEMBL12336015 0.79 MMP1 (1.00) MMP1FCER2MMP2MMP3MMP7
Batimastat SCHEMBL10052355 0.79 MMP1 (1.00) MMP1FCER2MMP2MMP3MMP7
Batimastat SCHEMBL12561510 0.79 MMP1 (1.00) MMP1FCER2MMP2MMP3MMP7
Batimastat SCHEMBL20793035 0.79 MMP1 (1.00) MMP1FCER2MMP2MMP3MMP7
Batimastat SCHEMBL4333 0.79 MMP1 (1.00) MMP1FCER2MMP2MMP3MMP7
SCHEMBL12672420 0.79 MMP1 (0.77) MMP1FCER2MMP2MMP3MMP7

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-20120058140-A1 TOPICAL COMPOSITIONS FOR INHIBITING MATRIX METALLOPROTEASES AND PROVIDING ANTIOXIDATIVE ACTIVITIES BATH & BODY WORKS BRAND MANAGEMENT, INC. (US) 2012-03-08 US claimed
US-8435541-B2 Topical compositions for inhibiting matrix metalloproteases and providing antioxidative activities BATH & BODY WORKS BRAND MANAGEMENT, INC. (US) 2013-05-07 US disclosed
US-20120058140-A1 TOPICAL COMPOSITIONS FOR INHIBITING MATRIX METALLOPROTEASES AND PROVIDING ANTIOXIDATIVE ACTIVITIES BATH & BODY WORKS BRAND MANAGEMENT, INC. (US) 2012-03-08 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-20120058140-A1 TOPICAL COMPOSITIONS FOR INHIBITING MATRIX METALLOPROTEASES AND PROVIDING ANTIOXIDATIVE ACTIVITIES TIMP3, MMP1, MMP9 MMP1 2/4885FCER2 3887/4885MMP2 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.