SCHEMBL3501647

SCHEMBL3501647

COc1cc(C)c(S(=O)(=O)N[C@@H](CCCNC(=N)N)C(=O)Oc2c(F)c(F)c(F)c(F)c2F)c(C)c1C

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 7/20 0.47
PLG P00747 1/20 0.44
AVPR1A P37288 9/20 0.44
BMP1 P13497 1/20 0.38
F2 P00734 1/20 0.37

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
SCHEMBL9329697 0.88 AVPR1B (0.52) AVPR1BPLGAVPR1ABMP1F2
SCHEMBL7898282 0.87 AVPR1B (0.54) AVPR1BPLGAVPR1ABMP1F2
SCHEMBL1509780 0.87 AVPR1B (0.54) AVPR1BPLGAVPR1ABMP1F2
SCHEMBL30007346 0.87 AVPR1B (0.54) AVPR1BPLGAVPR1ABMP1F2
SCHEMBL1509781 0.87 AVPR1B (0.54) AVPR1BPLGAVPR1ABMP1F2
SCHEMBL2873083 0.86 AVPR1B (0.48) AVPR1BPLGAVPR1ABMP1F2
SCHEMBL29816989 0.86 AVPR1B (0.48) AVPR1BPLGAVPR1ABMP1F2
SCHEMBL7368157 0.86 AVPR1B (0.47) AVPR1BPLGAVPR1ABMP1F2
SCHEMBL1738663 0.83 AVPR1B (0.52) AVPR1BPLGAVPR1ABMP1
SCHEMBL7171393 0.78 AVPR1B (0.46) AVPR1BPLGAVPR1ABMP1

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
EP-1858538-B1 MUCIN HYPERSECRETION INHIBITORS BASED ON THE STRUCTURE OF MANS AND METHODS OF USE BIOMARCK PHARMACEUTICALS LTD (US) 2019-03-27 EP disclosed
US-9598463-B2 Mucin hypersecretion inhibitors and methods of use BIOMARCK PHARMACEUTICALS, LTD. (US) 2017-03-21 US disclosed
US-20150274778-A1 MUCIN HYPERSECRETION INHIBITORS AND METHODS OF USE BIOMARCK PHARMACEUTICALS, LTD. 2015-10-01 US disclosed
US-8907056-B2 Mucin hypersecretion inhibitors and methods of use BIOMARCK PHARMACEUTICALS, LTD. (US) 2014-12-09 US disclosed
US-20130338085-A1 MUCIN HYPERSECRETION INHIBITORS AND METHODS OF USE BIOMARCK PHARMACEUTICALS, LTD. 2013-12-19 US disclosed
US-8492518-B2 Mucin hypersecretion inhibitors and methods of use BIOMARCK PHARMACEUTICALS LTD. (US) 2013-07-23 US disclosed
US-8293870-B2 Mucin hypersecretion inhibitors and methods of use BIOMARCK PHARMACEUTICALS LTD (US) 2012-10-23 US disclosed
US-20100197607-A1 MUCIN HYPERSECRETION INHIBITORS AND METHODS OF USE WILLIAMS, MASON L. 2010-08-05 US disclosed
US-20090275520-A1 MUCIN HYPERSECRETION INHIBITORS AND METHODS OF USE WILLIAMS, MASON L. 2009-11-05 US disclosed
US-7524926-B2 Mucin hypersecretion inhibitors and methods of use BIOMARCK PHARMACEUTICALS, LTD. (US) 2009-04-28 US disclosed
US-20060205664-A1 Mucin hypersecretion inhibitors and methods of use WILLIAMS, MASON L. 2006-09-14 US disclosed
WO-2002072068-A2 LIPIDS, LIPID COMPOSITIONS, LIPOSOMES, AND LIPOPLEXES CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2002-09-19 WO disclosed