SCHEMBL4994872

SCHEMBL4994872

CCCON(CCC)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.42
CA14 Q9ULX7 3/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA7 P43166 1/20 0.40
HDAC6 Q9UBN7 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
CA2 P00918 1/20 0.30

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
SCHEMBL24508189 0.89 L3MBTL1 (0.40) L3MBTL1CA14CA12CA1CA7
SCHEMBL20901229 0.87 CA14 (0.41) L3MBTL1CA14CA12CA1CA7
SCHEMBL20029274 0.85 CA14 (0.40) L3MBTL1CA14CA12CA1CA7
SCHEMBL27078307 0.84 L3MBTL1 (0.40) L3MBTL1CA14CA12CA1CA7
SCHEMBL29069988 0.84 L3MBTL1 (0.37) L3MBTL1CA14CA12CA1CA7
SCHEMBL27246592 0.84 L3MBTL1 (0.40) L3MBTL1CA14CA12CA1CA7
SCHEMBL19188019 0.82 CA14 (0.38) L3MBTL1CA14CA12CA1CA7
SCHEMBL27078543 0.81 CA14 (0.40) L3MBTL1CA14CA12CA1CA7
SCHEMBL24508198 0.81 L3MBTL1 (0.38) L3MBTL1CA14CA12CA1CA7
SCHEMBL13017451 0.81 CA14 (0.42) L3MBTL1CA14CA12CA1CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365093-B2 Endothelin antagonists ABBOTT LABORATORIES (US) 2008-04-29 US disclosed
US-7208517-B1 Endothelin antagonists ABBOTT LABORTORIES (US) 2007-04-24 US disclosed
US-20060229280-A1 Endothelin antagonists ABBVIE INC. 2006-10-12 US disclosed
EP-0885215-B1 NOVEL BENZO-1,3-DIOXOLYL- AND BENZOFURANYL SUBSTITUTED PYRROLIDINE DERIVATIVES AS ENDOTHELIN ANTAGONISTS ABBOTT LAB (US) 2006-04-19 EP disclosed
EP-1609790-A2 Benzo-1,3-dioxolyl- and benzofuranyl substituted pyrrolidine derivatives as endothelin antagonists Abbott Laboratories (US) 2005-12-28 EP disclosed
US-6946481-B1 Endothelin antagonists ABBOTT LABORATORIES (US) 2005-09-20 US disclosed
WO-2002017912-A1 ENDOTHELIN ANTAGONISTS ABBOTT LABORATORIES (US) 2002-03-07 WO disclosed
US-6162927-A Endothelin antagonists ABBOTT LABORATORIES (US) 2000-12-19 US disclosed
EP-1003740-A2 PYRROLIDINE-3-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGOISTS Abbott Laboratories (US) 2000-05-31 EP disclosed
WO-1999006397-A2 PYRROLIDINE-3-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ABBOTT LABORATORIES (US) 1999-02-11 WO disclosed
EP-0885215-A1 NOVEL BENZO-1,3-DIOXOLYL- AND BENZOFURANYL SUBSTITUTED PYRROLIDINE DERIVATIVES AS ENDOTHELIN ANTAGONISTS Abbott Laboratories (US) 1998-12-23 EP disclosed
WO-1997030045-A1 NOVEL BENZO-1,3-DIOXOLYL- AND BENZOFURANYL SUBSTITUTED PYRROLIDINE DERIVATIVES AS ENDOTHELIN ANTAGONISTS ABBOTT LABORATORIES (US) 1997-08-21 WO 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-20060229280-A1 Endothelin antagonists EDNRA, EDNRB, ECE1 L3MBTL1 4876/4885CA14 2407/4885CA12 3062/4885

“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.