SCHEMBL2249260

SCHEMBL2249260

CC(C)(C)OC(=O)N[C@H](Cc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.58
ACE P12821 1/20 0.52
PTPN1 P18031 2/20 0.51
ITGB3 P05106 2/20 0.51
ITGA2B P08514 2/20 0.51
ITGB1 P05556 1/20 0.51
ITGAV P06756 1/20 0.51
ITGB5 P18084 1/20 0.51
HDAC8 Q9BY41 1/20 0.48
EPHX2 P34913 1/20 0.47
MDM4 O15151 2/20 0.47
TP53 P04637 2/20 0.47
IDO1 P14902 1/20 0.47
CTSS P25774 3/20 0.46
CTSK P43235 2/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45

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
SCHEMBL371161 1.00 MDM2 (0.58) MDM2ACEPTPN1ITGB3ITGA2B
SCHEMBL503172 1.00 MDM2 (0.58) MDM2ACEPTPN1ITGB3ITGA2B
SCHEMBL29401511 0.96 MDM2 (0.62) MDM2ACEPTPN1ITGB3ITGA2B
SCHEMBL2307978 0.96 MDM2 (0.62) MDM2ACEPTPN1ITGB3ITGA2B
SCHEMBL3728072 0.96 MDM2 (0.62) MDM2ACEPTPN1ITGB3ITGA2B
SCHEMBL14039181 0.96 MDM2 (0.62) MDM2ACEPTPN1ITGB3ITGA2B
SCHEMBL29445607 0.96 MDM2 (0.62) MDM2ACEPTPN1ITGB3ITGA2B
SCHEMBL31370376 0.94 MDM2 (0.64) MDM2ACEPTPN1ITGB3ITGA2B
SCHEMBL21639290 0.91 MDM2 (0.52) MDM2ACEPTPN1ITGB3ITGA2B
SCHEMBL21639288 0.91 MDM2 (0.52) MDM2ACEPTPN1ITGB3ITGA2B

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 29 patents — showing the first 20. 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-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-9309207-B2 Macrocyclic urea and sulfamide derivatives as inhibitors of TAFIa SANOFI (FR) 2016-04-12 US disclosed
US-9284283-B2 Macrocyclic compounds for modulating IL-17 ENSEMBLE THERAPEUTICS CORPORATION (US) 2016-03-15 US disclosed
US-20160024033-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA SANOFI-AVENTIS (FR) 2016-01-28 US disclosed
US-20160024033-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA SANOFI-AVENTIS (FR) 2016-01-28 US disclosed
US-20160024033-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA SANOFI-AVENTIS (FR) 2016-01-28 US disclosed
EP-2809660-B1 MACROCYCLIC COMPOUNDS FOR MODULATING IL-17 ENSEMBLE THERAPEUTICS CORP (US) 2016-01-20 EP disclosed
US-20140039011-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA SANOFI (FR) 2014-02-06 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-8580777-B2 Macrocyclic urea and sulfamide derivatives as inhibitors of TAFIa SANOFI (FR) 2013-11-12 US disclosed
WO-2013116682-A1 MACROCYCLIC COMPOUNDS FOR MODULATING IL-17 ENSEMBLE THERAPEUTICS CORPORATION (US) 2013-08-08 WO disclosed
WO-2013115916-A1 COMBINATION THERAPY COMPRISING GS-7340 AND COBICISTAT FOR USE IN THE TREATMENT OF VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2013-08-08 WO disclosed
US-20110178130-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIa SANOFI-AVENTIS (FR) 2011-07-21 US disclosed
US-7968080-B2 Somatostatin analogs with inhibitory activity to growth hormone release THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-06-28 US disclosed
US-20070041902-A1 Somatostatin analogs with inhibitory activity to growth hormone release NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-02-22 US disclosed
US-6359144-B1 BIOSYNTHESIS; SCREENING LION BIOSCIENCE AG (DE) 2002-03-19 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 (5 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 MDM2 4169/4885ACE 166/4885PTPN1 3314/4885
US-20110178130-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIa TFPI, TFPI2, SERPINC1 MDM2 4169/4885ACE 166/4885PTPN1 3314/4885
US-20140039011-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA TFPI, TFPI2, SERPINC1 MDM2 4169/4885ACE 166/4885PTPN1 3314/4885
US-20070041902-A1 Somatostatin analogs with inhibitory activity to growth hormone release GHRHR, GHSR, SSTR4 MDM2 1958/4885ACE 1574/4885PTPN1 3358/4885
US-20160251324-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA TFPI, TFPI2, SERPINC1 MDM2 4169/4885ACE 166/4885PTPN1 3314/4885

“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.