Sugi Predict

Sugi Predict / Compounds / SCHEMBL10187463

SCHEMBL10187463

SCHEMBL10187463

OCc1ccc(Oc2ccc(SCC(O)CCl)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.46
▸ BACE1 P56817 5/20 0.42
▸ ALDH1A1 P00352 1/20 0.39
▸ MMP2 P08253 2/20 0.36
▸ ADAM17 P78536 1/20 0.36
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA4 P22748 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ MMP3 P08254 1/20 0.33
▸ MMP7 P09237 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ MMP14 P50281 1/20 0.33
▸ DAO P14920 1/20 0.32
▸ AR P10275 1/20 0.32
▸ MMP12 P39900 1/20 0.31
▸ MMP13 P45452 1/20 0.31
▸ PPARG P37231 2/20 0.31
▸ PPARA Q07869 2/20 0.31

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
SCHEMBL1496687 0.84 BACE1 (0.47) LTA4HBACE1ALDH1A1MMP2ADAM17
SCHEMBL21401396 0.80 ALDH1A1 (0.39) BACE1ALDH1A1CA1CA2CA4
SCHEMBL1496511 0.78 CA1 (0.50) BACE1ALDH1A1MMP2ADAM17CA1
SCHEMBL21401367 0.75 ALDH1A1 (0.36) BACE1ALDH1A1CA1CA2CA4
SCHEMBL1496583 0.73 TEAD1 (0.42) ALDH1A1MMP2MMP3MMP9MMP14
SCHEMBL10187450 0.73 BACE1 (0.47) BACE1ALDH1A1CA1CA2CA4
SCHEMBL1496704 0.73 BACE1 (0.48) LTA4HBACE1ALDH1A1MMP2ADAM17
SCHEMBL5342317 0.72 LTA4H (0.81) LTA4HALDH1A1MMP2CA1CA2
SCHEMBL21023760 0.72 ALDH1A1 (0.38) BACE1ALDH1A1CA1CA2CA4
SCHEMBL1496561 0.71 MAOA (0.48) BACE1ALDH1A1MMP2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093287-B2 Inhibitors of matrix metalloproteinases UNIVERSITY OF NOTRE DAME DU LAC (US) 2012-01-10 — — US disclosed
US-8093287-B2 Inhibitors of matrix metalloproteinases UNIVERSITY OF NOTRE DAME DU LAC (US) 2012-01-10 — — US disclosed
US-20110224275-A1 INHIBITORS OF MATRIX METALLOPROTEINASES NOTRE DAME UNIVERSITY (US) 2011-09-15 — — US disclosed
US-20110224275-A1 INHIBITORS OF MATRIX METALLOPROTEINASES NOTRE DAME UNIVERSITY (US) 2011-09-15 — — US disclosed
US-7928127-B2 Inhibitors of matrix metallaproteinases NOTRE DAME UNIVERSITY (US) 2011-04-19 — — US disclosed
US-7928127-B2 Inhibitors of matrix metallaproteinases NOTRE DAME UNIVERSITY (US) 2011-04-19 — — US disclosed
US-20090005420-A1 Inhibitors of Matrix Metallaproteinases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-01-01 — — US disclosed
US-20090005420-A1 Inhibitors of Matrix Metallaproteinases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-01-01 — — 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 (2 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-20090005420-A1 Inhibitors of Matrix Metallaproteinases MMP9, MMP1, MMP2 LTA4H 504/4885BACE1 368/4885ALDH1A1 333/4885
US-20110224275-A1 INHIBITORS OF MATRIX METALLOPROTEINASES MMP9, MMP1, MMP2 LTA4H 229/4885BACE1 388/4885ALDH1A1 403/4885

“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.