SCHEMBL12010939

SCHEMBL12010939

CC(C)(C)NC(=O)CCC(NC(=O)C(CCC(=O)O)NC(C)(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)NC(C)(C)C)C(=O)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 2/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ BMP1 P13497 3/20 0.39
▸ ADAMTS5 Q9UNA0 2/20 0.38
▸ ADAMTS4 O75173 1/20 0.38
▸ MMP8 P22894 2/20 0.34
▸ MMP12 P39900 1/20 0.34
▸ FOLH1 Q04609 4/20 0.34
▸ RIMKLA Q8IXN7 1/20 0.34
▸ NAALAD2 Q9Y3Q0 1/20 0.34
▸ PSMB5 P28074 6/20 0.34
▸ CCKBR P32239 1/20 0.33
▸ PSMB8 P28062 3/20 0.32
▸ MMP1 P03956 1/20 0.32

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
SCHEMBL25767688 0.90 FOLH1 (0.41) MMP2BMP1ADAMTS5ADAMTS4MMP8
SCHEMBL27103261 0.84 CCKBR (0.42) BMP1PSMB5CCKBRPSMB8
SCHEMBL27424227 0.83 MMP2 (0.41) MMP2MMP9
SCHEMBL22316575 0.80 FOLH1 (0.55) BMP1FOLH1RIMKLANAALAD2
SCHEMBL21728970 0.80 BMP1 (0.32) BMP1ADAMTS5ADAMTS4CCKBR
SCHEMBL19483448 0.80 FOLH1 (0.42) FOLH1RIMKLANAALAD2
SCHEMBL22316500 0.80 FOLH1 (0.42) FOLH1RIMKLANAALAD2
SCHEMBL18804751 0.80 FOLH1 (0.42) FOLH1RIMKLANAALAD2
SCHEMBL22315438 0.79 FOLH1 (0.50) FOLH1RIMKLANAALAD2
SCHEMBL22315883 0.79 BMP1 (0.42) BMP1ADAMTS5ADAMTS4FOLH1RIMKLA

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-8252841-B2 Methods of inhibiting bacterial virulence and compounds relating thereto THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-08-28 — — US disclosed
US-20100048573-A1 Methods of Inhibiting Bacterial Virulence and Compounds Relating Thereto THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2010-02-25 — — 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-20100048573-A1 Methods of Inhibiting Bacterial Virulence and Compounds Relating Thereto MMP8, SLC11A2, NFKBIA MMP2 71/4885MMP9 188/4885BMP1 717/4885

“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.

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