SCHEMBL2511734

SCHEMBL2511734

O=NN1CSCC1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.40
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 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
SCHEMBL3554509 0.83 ACE (0.30) ACE
SCHEMBL2924489 0.80 ACE (0.32) ACE
SCHEMBL2091418 0.71
SCHEMBL13167831 0.71
SCHEMBL9409947 0.70 ACE (0.54) ACEALDH1A1KMT2A
SCHEMBL1652402 0.70 ACE (0.54) ACEALDH1A1KMT2A
SCHEMBL19253042 0.70 ACE (0.54) ACEALDH1A1KMT2A
SCHEMBL6482583 0.68 ACE (0.57) ACEALDH1A1KMT2A
SCHEMBL5778845 0.68 ACE (0.57) ACEALDH1A1KMT2A
SCHEMBL1444662 0.68 ACE (0.57) ACEALDH1A1KMT2A

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-8034388-B2 Plant extract as anticancer agents THE UNIVERSITY OF MARYLAND (US) 2011-10-11 US disclosed
US-7812014-B2 Bicyclic 6-alkylidene-penems as β-lactamase inhibitors WYETH LLC (US) 2010-10-12 US disclosed
US-7812014-B2 Bicyclic 6-alkylidene-penems as β-lactamase inhibitors WYETH LLC (US) 2010-10-12 US disclosed
US-20080312203-A1 Bicyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors WYETH (US) 2008-12-18 US disclosed
US-20080312203-A1 Bicyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors WYETH (US) 2008-12-18 US disclosed
EP-1988093-A1 Bicyclic 6-alkylidene-penems as beta-lactamases inhibitors Wyeth a Corporation of the State of Delaware (US) 2008-11-05 EP disclosed
US-20060159781-A1 Anthocyanin-rich compositions and methods for inhibiting cancer cell growth MAGNUSON BERNADENE A 2006-07-20 US disclosed
US-20050013880-A1 Anthocyanin-rich compositions and methods for inhibiting cancer cell growth UNIVERSITY OF MARYLAND, THE 2005-01-20 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-20060159781-A1 Anthocyanin-rich compositions and methods for inhibiting cancer cell growth MKI67, CCNC, CCNI ACE 4092/4885ALDH1A1 1437/4885KMT2A 1538/4885
US-20050013880-A1 Anthocyanin-rich compositions and methods for inhibiting cancer cell growth MKI67, CCNC, CCNI ACE 4092/4885ALDH1A1 1437/4885KMT2A 1538/4885
US-20080312203-A1 Bicyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors PGLS, PEPD, B2M ACE 168/4885ALDH1A1 1105/4885KMT2A 878/4885

“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.