SCHEMBL1428936

SCHEMBL1428936

CC(N)N[C@@H](CS)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 0.52
THRB P10828 1/20 0.52
ALOX15 P16050 1/20 0.52
NFKB1 P19838 1/20 0.52
PTGS2 P35354 1/20 0.52
THPO P40225 1/20 0.52
RECQL P46063 1/20 0.52
BLM P54132 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ACE P12821 1/20 0.52
ENPEP Q07075 4/20 0.45
PTGS1 P23219 1/20 0.44
SLC7A11 Q9UPY5 1/20 0.44
FOLH1 Q04609 3/20 0.40
SLC7A5 Q01650 2/20 0.37
NAALAD2 Q9Y3Q0 2/20 0.36
TGFBR1 P36897 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LAP3 P28838 2/20 0.36

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
SCHEMBL107698 1.00 KDM4E (0.52) KDM4EMAPTTHRBALOX15NFKB1
Hydrochloric Acid SCHEMBL1574245 0.98 ACE (0.50) KDM4EMAPTTHRBALOX15NFKB1
Hydrochloric Acid SCHEMBL19332925 0.98 ACE (0.50) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL1058215 0.82 KDM4E (0.56) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL25761663 0.82 KDM4E (0.56) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL1058214 0.82 KDM4E (0.56) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL28854052 0.82 KDM4E (0.56) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL1934656 0.80 TGFBR1 (0.52) FOLH1SLC7A5NAALAD2TGFBR1ALDH1A1
SCHEMBL28581576 0.80 TGFBR1 (0.52) FOLH1SLC7A5NAALAD2TGFBR1ALDH1A1
SCHEMBL23552453 0.80 KDM4E (0.54) KDM4EMAPTTHRBALOX15NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1988008717-A2 ACTIVE PEPTIDES AGAINST PALUDISM CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS (FR) 1988-11-17 WO claimed
US-20240327889-A1 REGULATION OF CELLS AND ORGANISMS TETS VICTOR (US) 2024-10-03 US disclosed
CN-113105430-B Non-natural chiral amino acid compound containing imine sulfone cycloheptyne and salt compound thereof, and preparation method and application thereof 天津大学 2022-04-01 CN disclosed
CN-113105430-A Non-natural chiral amino acid compound containing imine sulfone cycloheptyne and salt compound thereof, and preparation method and application thereof 天津大学 2021-07-13 CN disclosed
US-20210121537-A1 Methods and Compositions for Treating Phenylketonuria CHILDREN'S NATIONAL MEDICAL CENTER 2021-04-29 US disclosed
US-10792339-B2 Methods and compositions for treating phenylketonuria CHILDREN'S NATIONAL MEDICAL CENTER (US) 2020-10-06 US disclosed
CN-109310646-A Delivery-enhancing epinephrine compositions 阿奎斯蒂弗医疗股份有限公司 2019-02-05 CN disclosed
CN-109310647-A Pharmaceutical composition with enhanced penetration 阿奎斯蒂弗医疗股份有限公司 2019-02-05 CN disclosed
CN-108513584-A Ochrobactrum-mediated plant transformation 先锋国际良种公司 2018-09-07 CN disclosed
EP-3341483-A1 OCHROBACTRUM-MEDIATED TRANSFORMATION OF PLANTS Pioneer Hi-Bred International, Inc. (US) 2018-07-04 EP disclosed
US-7115735-B2 Dehydrogenase and a gene encoding the same MITSUBISHI CHEMICAL CORPORATION (JP) 2006-10-03 US disclosed
US-20060205045-A1 Which produces N-alkyl-L-alanine from pyruvic acid and alkylamine or dialkylamine using NADPH and/or NADH as coenzyme; biosynthesis MITSUBISHI CHEMICAL CORPORATION (JP) 2006-09-14 US disclosed
US-20050124040-A1 Novel dehydrogenase and a gene encoding the same MITSUBISHI CHEMICAL CORPORATION (JP) 2005-06-09 US disclosed
EP-0960944-A1 Enhanced production of taxol and taxanes by cell cultures of taxus species PHYTON, INC. (US) 1999-12-01 EP disclosed
US-5367110-A Chimeric genes comprising dna sequence coding enzymes having kinase and synthase activity; herbicides YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 1994-11-22 US disclosed
EP-0485970-A2 Transgenic plants overproducing threonine and lysine YEDA RESEARCH AND DEVELOPMENT COMPANY LIMITED (IL) 1992-05-20 EP disclosed
US-5098835-A Culture of Providencia TORAY INDUSTRIES, INC. (JP) 1992-03-24 US disclosed
EP-0292006-B1 AMINOETHYLCYSTEINE DERIVATIVES Sanraku Incorporated (JP) 1991-08-21 EP disclosed
EP-0292006-A1 Aminoethylcysteine derivatives Sanraku Incorporated (JP) 1988-11-23 EP disclosed
EP-0271408-A2 Process for increasing free pool lysine content in maize SUNGENE TECHNOLOGIES CORPORATION (US) 1988-06-15 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 (2 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-20060205045-A1 Which produces N-alkyl-L-alanine from pyruvic acid and alkylamine or dialkylamine using NADPH and/or NADH as coenzyme; biosynthesis ME1, NADK, ME3 KDM4E 1504/4885MAPT 3690/4885THRB 3336/4885
US-20050124040-A1 Novel dehydrogenase and a gene encoding the same ALDH7A1, MDH2, DPYD KDM4E 1339/4885MAPT 3922/4885THRB 3666/4885

“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.