Sugi Predict

Sugi Predict / Compounds / SCHEMBL5414567

SCHEMBL5414567

SCHEMBL5414567

COC(=O)[C@@H]1C[C@@H](NC(=O)CCCCCNC(=O)OC(C)(C)C)CN1S(=O)(=O)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 15/20 0.67
▸ MMP9 P14780 6/20 0.67
▸ ANPEP P15144 1/20 0.43
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ TLR2 O60603 1/20 0.41
▸ TLR1 Q15399 1/20 0.41
▸ MMP3 P08254 2/20 0.41
▸ MMP1 P03956 1/20 0.41
▸ MMP7 P09237 1/20 0.41
▸ MMP13 P45452 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41

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
SCHEMBL13282819 1.00 MMP2 (0.67) MMP2MMP9ANPEPCA1CA2
SCHEMBL5503977 0.93 MMP2 (0.66) MMP2MMP9CA1CA2TLR2
SCHEMBL13254806 0.84 MMP2 (0.54) MMP2MMP9ANPEPCA1CA2
SCHEMBL13282810 0.84 MMP2 (0.54) MMP2MMP9ANPEPCA1CA2
SCHEMBL13282821 0.80 MMP2 (0.47) MMP2MMP9TLR2TLR1CYP3A4
SCHEMBL13254808 0.80 MMP2 (0.47) MMP2MMP9TLR2TLR1CYP3A4
SCHEMBL13254807 0.77 MMP2 (0.48) MMP2MMP9CA1CA2MMP3
SCHEMBL24655800 0.76 MMP2 (0.50) MMP2MMP9ANPEP
SCHEMBL13282820 0.74 MMP2 (0.59) MMP2MMP9CA1CA2MMP3
SCHEMBL13254809 0.74 MMP2 (0.59) MMP2MMP9CA1CA2MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100183599-A1 Methods of treating multiple myeloma and myeloma-induced bone resorption using integrin antagonists MUNDY GREGORY R 2010-07-22 — — US disclosed
US-7618630-B2 Administering to an individual a therapeutically effective amount of an antagonist of an interaction between an alpha 4 subunit-bearing integrin and a ligand for an alpha 4 subunit-bearing integrin BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-11-17 — — US disclosed
US-7196112-B2 Cell adhesion inhibitors BIOGEN IDEC MA INC. (US) 2007-03-27 — — US disclosed
US-7196112-B2 Cell adhesion inhibitors BIOGEN IDEC MA INC. (US) 2007-03-27 — — US disclosed
US-20070066533-A1 Cell adhesion inhibitors LEE WEN-CHERNG 2007-03-22 — — US disclosed
US-20060014966-A1 Cell adhesion inhibitors BIOGEN IDEC MA INC. 2006-01-19 — — 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 (3 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-20070066533-A1 Cell adhesion inhibitors VCAM1, EPCAM, ICAM1 MMP2 611/4885MMP9 741/4885ANPEP 770/4885
US-20060014966-A1 Cell adhesion inhibitors VCAM1, EPCAM, ICAM1 MMP2 611/4885MMP9 741/4885ANPEP 770/4885
US-20100183599-A1 Methods of treating multiple myeloma and myeloma-induced bone resorption using integrin antagonists ITGB4, ITGA4, VCAM1 MMP2 193/4885MMP9 237/4885ANPEP 480/4885

“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.