Sugi Predict

Sugi Predict / Compounds / SCHEMBL616501

SCHEMBL616501

SCHEMBL616501

CNC(CSC(=O)O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ THPO P40225 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ FOLH1 Q04609 3/20 0.33
▸ NAALAD2 Q9Y3Q0 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ TGFBR1 P36897 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ACE P12821 1/20 0.31
▸ RIMKLA Q8IXN7 1/20 0.30

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
SCHEMBL616502 1.00 KDM4E (0.34) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL5317745 0.83 TDP1 (0.45) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL2781164 0.83 TDP1 (0.45) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL14227052 0.81 ITGB1 (0.42) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL15844914 0.81 ITGB1 (0.42) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL2561665 0.81 — —
SCHEMBL11505165 0.81 — —
SCHEMBL15844913 0.81 ITGB1 (0.42) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL1925530 0.77 — —
SCHEMBL16310690 0.77 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2444481-B1 Microorganism producing O-phosphoserine and method of producing L-cysteine or derivatives thereof from O-phosphoserine using the same CJ CHEILJEDANG CORP (KR) 2018-11-28 — — EP claimed
EP-4103729-B1 BIOCATALYZER AS A CORE COMPONENT OF AN ENZYME CATALYZED REDOX SYSTEM FOR THE BIOCATALYTIC REDUCTION OF CYSTINE WACKER CHEMIE AG (DE) 2023-10-18 — — EP disclosed
EP-4103729-A1 BIOCATALYST AS A CORE COMPONENT OF AN ENZYME-CATALYZED REDOX SYSTEM FOR THE BIOCATALYTIC REDUCTION OF CYSTINE Wacker Chemie AG (DE) 2022-12-21 — — EP disclosed
US-20190002882-A1 MOLECULAR ROBOT AIT AUSTRIAN INSTITUTE OF TECHNOLOGY GMBH (AT) 2019-01-03 — — US disclosed
US-20170059577-A1 HOMOGENOUS POPULATIONS OF MOLECULES LIFE TECHNOLOGIES CORP (US) 2017-03-02 — — US disclosed
US-9523692-B2 Homogenous populations of molecules Life Technologies Corporation (US) 2016-12-20 — — US disclosed
CN-101683311-B Dithiacyclopentane compound is used for the purposes of skin photoprotection; Novel dithiacyclopentane compound; Containing their compositions L'OREAL (FR) 2016-04-20 — — CN disclosed
EP-1668146-B1 HOMOGENEOUS POPULATIONS OF MOLECULES LIFE TECHNOLOGIES CORP (US) 2014-11-12 — — EP disclosed
US-8372879-B2 4-(heterocycloalkyl) benzene-1,3-diol compounds as tyrosinase inhibitors, process for the preparation thereof and use thereof in human medicine and also in cosmetics GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-02-12 — — US disclosed
EP-2373310-B1 NOVEL 4-(HETEROCYCLOALKYL)BENZENE-1,3-DIOL COMPOUNDS AS TYROSINASE INHIBITORS, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND ALSO IN COSMETICS GALDERMA RES & DEV (FR) 2012-10-10 — — EP disclosed
US-20120041213-A1 4-(HETEROCYCLOALKYL) BENZENE -1,3-DIOL COMPOUNDS AS TYROSINASE INHIBITORS, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND ALSO IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-02-16 — — US disclosed
US-20110098447-A1 Homogenous Populations of Molecules Life Technologies Corporation (US) 2011-04-28 — — US disclosed
US-7781173-B2 Homogeneous populations of molecules Life Technologies Corporation (US) 2010-08-24 — — US disclosed
US-7700657-B2 Vitamin D analogs GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-04-20 — — US disclosed
US-20050106605-A1 Homogeneous populations of molecules Life Technologies Corporation 2005-05-19 — — US disclosed
EP-0859624-A1 GnRH/REDUCED PSEUDOMONAS EXOTOXIN CONJUGATES Merck & Co., Inc. (US) 1998-08-26 — — EP disclosed
WO-1997015317-A1 GnRH/REDUCED PSEUDOMONAS EXOTOXIN CONJUGATES MERCK & CO., INC. (US) 1997-05-01 — — WO disclosed
US-4259508-A MUCOLYTIC, EMOLLIENT BLUM JEAN 1981-03-31 — — US disclosed
US-4151301-A ANTISECRETORY L'OREAL (FR) 1979-04-24 — — US disclosed
US-4002671-A REDUCE SEBUM SECRETION ON SCALP OR SKIN SOCIETE ANONYME DITE: L'OREAL (FR) 1977-01-11 — — 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 (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-20120041213-A1 4-(HETEROCYCLOALKYL) BENZENE -1,3-DIOL COMPOUNDS AS TYROSINASE INHIBITORS, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND ALSO IN COSMETICS TYR, DDT, PAH KDM4E 1507/4885MAPT 2448/4885THRB 1873/4885
US-20110098447-A1 Homogenous Populations of Molecules CD68, RPL7, HLA-DRB1 KDM4E 4177/4885MAPT 2492/4885THRB 4781/4885
US-20050106605-A1 Homogeneous populations of molecules CD68, PCNA, MKI67 KDM4E 4451/4885MAPT 2529/4885THRB 4777/4885

“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.