SCHEMBL119188

SCHEMBL119188

O=C(N[C@@H](CSCc1ccccc1)C(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC17A5 Q9NRA2 1/20 0.61
PPARA Q07869 6/20 0.58
PPARG P37231 4/20 0.58
MDM4 O15151 2/20 0.54
TP53 P04637 2/20 0.54
PPARD Q03181 2/20 0.50
CASP3 P42574 2/20 0.49
ACE P12821 1/20 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
SCHEMBL29401307 1.00 SLC17A5 (0.61) SLC17A5PPARAPPARGMDM4TP53
SCHEMBL27620508 1.00 SLC17A5 (0.61) SLC17A5PPARAPPARGMDM4TP53
SCHEMBL29908094 1.00 SLC17A5 (0.61) SLC17A5PPARAPPARGMDM4TP53
SCHEMBL16634948 0.93 SLC17A5 (0.57) SLC17A5PPARAPPARGMDM4TP53
SCHEMBL29594267 0.93 SLC17A5 (0.57) SLC17A5PPARAPPARGMDM4TP53
SCHEMBL28857934 0.91 PPARA (0.56) SLC17A5PPARAPPARGMDM4TP53
SCHEMBL1738379 0.91 PPARA (0.56) SLC17A5PPARAPPARGMDM4TP53
SCHEMBL19888241 0.88 SLC17A5 (0.58) SLC17A5MDM4TP53CASP3
SCHEMBL1486194 0.87 SLC17A5 (0.58) SLC17A5MDM4TP53CASP3
SCHEMBL29398108 0.87 SLC17A5 (0.58) SLC17A5MDM4TP53CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115053184-A Composition for forming EUV resist underlayer film 日产化学株式会社 2022-09-13 CN disclosed
CN-112986440-A Detection method of Fmoc-Cys (trt) -OH related substances 吉尔多肽生物制药(大连市)有限公司 2021-06-18 CN disclosed
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
US-7517855-B2 Peptides which inhibit angiogenesis, cell migration, cell invasion and cell proliferation, compositions and uses thereof ATTENUON, LLC (US) 2009-04-14 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
CN-1741808-A Peptides which inhibit angiogenesis, cell migration, cell invasion and cell proliferation, compositions and uses thereof ATTENUON LLC (US) 2006-03-01 CN disclosed
US-20040162239-A1 Peptides which inhibit angiogenesis, cell migration, cell invasion and cell proliferation, compositions and uses thereof ATTENUON LLC 2004-08-19 US disclosed
US-6372883-B1 FOR THERAPY AND PROPHYLAXIS OF INFECTIONS CAUSED BY HEPATITIS C, HEPATITIS G AND HUMAN GB VIRUSES HOFFMANN-LA ROCHE INC. 2002-04-16 US disclosed
WO-2000050448-A1 A METHOD FOR CONTROLLING AN ENZYMATIC REACTION BY THE ALPHA AND BETA DOMAINS OF METALLOTHIONEIN VALLEE BERT L (US) 2000-08-31 WO disclosed
WO-2000038654-A1 SYNTHETIC AND THERAPEUTIC METHODS FOR THE ALPHA AND BETA DOMAINS OF METALLOTHIONEIN VALLEE BERT L (US) 2000-07-06 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 (4 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 SLC17A5 3864/4885PPARA 490/4885PPARG 382/4885
US-20180318818-A1 Redox Dehydration Coupling Catalysts and Methods Related Thereto SCLY, TST, SELENOI SLC17A5 1789/4885PPARA 1757/4885PPARG 1819/4885
US-20210053044-A1 Redox Dehydration Coupling Catalysts and Methods Related Thereto SCLY, TST, SQOR SLC17A5 1940/4885PPARA 1881/4885PPARG 1930/4885
US-20040162239-A1 Peptides which inhibit angiogenesis, cell migration, cell invasion and cell proliferation, compositions and uses thereof HDGF, VIP, PGF SLC17A5 908/4885PPARA 3174/4885PPARG 3539/4885

“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.