SCHEMBL2215841

SCHEMBL2215841

CC(C)(C)OC(=O)NC(CSCCNC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 14/20 0.63
PPARG P37231 11/20 0.63
PPARD Q03181 2/20 0.58
MAPT P10636 1/20 0.53
SYK P43405 1/20 0.52
KLK7 P49862 1/20 0.50
KLK5 Q9Y337 1/20 0.50
FOLH1 Q04609 1/20 0.49
CTSS P25774 1/20 0.49
ACE P12821 1/20 0.48

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
SCHEMBL1429551 1.00 PPARA (0.63) PPARAPPARGPPARDMAPTSYK
SCHEMBL6766498 1.00 PPARA (0.63) PPARAPPARGPPARDMAPTSYK
SCHEMBL7344730 0.96 PPARA (0.60) PPARAPPARGPPARDMAPTSYK
SCHEMBL7420961 0.94 PPARA (0.61) PPARAPPARGPPARDMAPTSYK
SCHEMBL7420964 0.94 PPARA (0.61) PPARAPPARGPPARDMAPTSYK
SCHEMBL1429859 0.94 PPARA (0.54) PPARAPPARGPPARDMAPTSYK
SCHEMBL15890596 0.93 PPARA (0.53) PPARAPPARGPPARDMAPTSYK
SCHEMBL10833222 0.91 MAPT (0.55) PPARAPPARGPPARDMAPTSYK
SCHEMBL10825320 0.91 MAPT (0.55) PPARAPPARGPPARDMAPTSYK
SCHEMBL7424826 0.90 PPARA (0.58) PPARAPPARGPPARDMAPTSYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9688645-B2 Macrocyclic urea and sulfamide derivatives as inhibitors of TAFIa SANOFI (FR) 2017-06-27 US disclosed
US-20160251324-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA SANOFI-AVENTIS (FR) 2016-09-01 US disclosed
US-9309207-B2 Macrocyclic urea and sulfamide derivatives as inhibitors of TAFIa SANOFI (FR) 2016-04-12 US disclosed
US-20160024033-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA SANOFI-AVENTIS (FR) 2016-01-28 US disclosed
US-9126955-B2 Macrocyclic urea and sulfamide derivatives as inhibitors of TAFIa SANOFI (FR) 2015-09-08 US disclosed
US-20140206760-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA SANOFI (FR) 2014-07-24 US disclosed
US-8722655-B2 Macrocyclic urea and sulfamide derivatives as inhibitors of tafia SANOFI (FR) 2014-05-13 US disclosed
US-20140039011-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA SANOFI (FR) 2014-02-06 US disclosed
US-8580777-B2 Macrocyclic urea and sulfamide derivatives as inhibitors of TAFIa SANOFI (FR) 2013-11-12 US disclosed
US-20110178130-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIa SANOFI-AVENTIS (FR) 2011-07-21 US disclosed
US-6716843-B2 INHIBITOR OF DIPEPTIDYL-PEPTIDASE IV LES LABORATOIRES SERVIER (FR) 2004-04-06 US disclosed
US-20030087950-A1 New alpha-amino acid sulphonyl compounds LES LABORATOIRES SERVIER (FR) 2003-05-08 US disclosed
EP-1245568-A1 Sulfonyl derivatives of amino acids and their use as inhibitors of dipeptidyl-peptidase IV (DPP IV) Les Laboratoires Servier (FR) 2002-10-02 EP 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 (6 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-20160024033-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA TFPI, TFPI2, SERPINC1 PPARA 2356/4885PPARG 2483/4885PPARD 2318/4885
US-20110178130-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIa TFPI, TFPI2, SERPINC1 PPARA 2356/4885PPARG 2483/4885PPARD 2318/4885
US-20140039011-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA TFPI, TFPI2, SERPINC1 PPARA 2356/4885PPARG 2483/4885PPARD 2318/4885
US-20030087950-A1 New alpha-amino acid sulphonyl compounds DNPEP, DPP4, DPP7 PPARA 1224/4885PPARG 1663/4885PPARD 1426/4885
US-20140206760-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA TFPI, TFPI2, SERPINC1 PPARA 2357/4885PPARG 2493/4885PPARD 2313/4885
US-20160251324-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA TFPI, TFPI2, SERPINC1 PPARA 2356/4885PPARG 2483/4885PPARD 2318/4885

“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.