SCHEMBL178772

SCHEMBL178772

O=C(N[C@@H](CCCCNC(=O)C(F)(F)F)C(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 6/20 0.55
KMT2A Q03164 1/20 0.53
TGM2 P21980 1/20 0.50
TLR2 O60603 2/20 0.49
MDM4 O15151 2/20 0.49
TP53 P04637 2/20 0.49

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
SCHEMBL29400921 1.00 MDM2 (0.55) MDM2KMT2ATGM2TLR2MDM4
SCHEMBL178698 0.90 KMT2A (0.66) MDM2KMT2ATLR2MDM4TP53
SCHEMBL29401258 0.90 KMT2A (0.66) MDM2KMT2ATLR2MDM4TP53
SCHEMBL260631 0.90 KMT2A (0.66) MDM2KMT2ATLR2MDM4TP53
SCHEMBL29359997 0.90 KMT2A (0.66) MDM2KMT2ATLR2MDM4TP53
SCHEMBL178733 0.90 KMT2A (0.66) MDM2KMT2ATLR2MDM4TP53
SCHEMBL29528567 0.90 KMT2A (0.66) MDM2KMT2ATLR2MDM4TP53
SCHEMBL23056476 0.89 KMT2A (0.58) MDM2KMT2ATLR2MDM4TP53
SCHEMBL14071942 0.89 KMT2A (0.58) MDM2KMT2ATLR2MDM4TP53
SCHEMBL1738761 0.87 KMT2A (0.56) MDM2KMT2ATLR2MDM4TP53

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210053044-A1 Redox Dehydration Coupling Catalysts and Methods Related Thereto UNIV EMORY (US) 2021-02-25 US disclosed
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-20180318818-A1 Redox Dehydration Coupling Catalysts and Methods Related Thereto EMORY UNIVERSITY (US) 2018-11-08 US disclosed
US-9700881-B2 Heterocyclic coupling catalysts and methods related thereto EMORY UNIVERSITY (US) 2017-07-11 US disclosed
WO-2017070157-A1 REDOX DEHYDRATION COUPLING CATALYSTS AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2017-04-27 WO disclosed
US-9598463-B2 Mucin hypersecretion inhibitors and methods of use BIOMARCK PHARMACEUTICALS, LTD. (US) 2017-03-21 US disclosed
US-20160243534-A1 Heterocyclic Coupling Catalysts and Methods Related Thereto EMORY UNIVERSITY (US) 2016-08-25 US disclosed
US-20150274778-A1 MUCIN HYPERSECRETION INHIBITORS AND METHODS OF USE BIOMARCK PHARMACEUTICALS, LTD. 2015-10-01 US disclosed
WO-2015054337-A1 HETEROCYCLIC COUPLING CATALYSTS AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2015-04-16 WO disclosed
US-8907056-B2 Mucin hypersecretion inhibitors and methods of use BIOMARCK PHARMACEUTICALS, LTD. (US) 2014-12-09 US disclosed
US-8293870-B2 Mucin hypersecretion inhibitors and methods of use BIOMARCK PHARMACEUTICALS LTD (US) 2012-10-23 US disclosed
US-20120058428-A1 PATTERNING PROCESS AND RESIST COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-03-08 US disclosed
EP-2399599-A2 MUCIN HYPERSECRETION INHIBITORS AND METHODS OF USE Biomarck Pharmaceuticals, Ltd. (US) 2011-12-28 EP 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
CN-101146545-A Mucin hypersecretion inhibitors based on the structure of MANS and methods of use BIOMARCK PHARMACEUTICALS LTD (US) 2008-03-19 CN disclosed
EP-1858538-A2 MUCIN HYPERSECRETION INHIBITORS BASED ON THE STRUCTURE OF MANS AND METHODS OF USE Biomarck Pharmaceuticals, Ltd. (US) 2007-11-28 EP disclosed
US-20060205664-A1 Mucin hypersecretion inhibitors and methods of use WILLIAMS, MASON L. 2006-09-14 US disclosed
WO-2006078899-A2 MUCIN HYPERSECRETION INHIBITORS BASED ON THE STRUCTURE OF MANS AND METHODS OF USE BIOMARCK PHARMACEUTICALS, LTD. (US) 2006-07-27 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 (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-20160243534-A1 Heterocyclic Coupling Catalysts and Methods Related Thereto HAT1, CBR3, CBR1 MDM2 1109/4885KMT2A 608/4885TGM2 925/4885
US-20180318818-A1 Redox Dehydration Coupling Catalysts and Methods Related Thereto SCLY, TST, SELENOI MDM2 1794/4885KMT2A 926/4885TGM2 402/4885
US-20210053044-A1 Redox Dehydration Coupling Catalysts and Methods Related Thereto SCLY, TST, SQOR MDM2 1683/4885KMT2A 1054/4885TGM2 410/4885

“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.