SCHEMBL2947911

SCHEMBL2947911

COC(=O)[C@@H](N)CSSC[C@H](NC(C)=O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 3/20 0.46
▸ ITGA4 P13612 3/20 0.46
▸ MAPT P10636 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ THPO P40225 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ MME P08473 2/20 0.37
▸ TGFBR1 P36897 2/20 0.37
▸ KIF11 P52732 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 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
N-Monoacetylcystine SCHEMBL20816346 0.94 ITGB1 (0.48) ITGB1ITGA4MAPTKDM4ETHRB
SCHEMBL20839967 0.90 ITGB1 (0.42) ITGB1ITGA4MAPTKDM4ETHRB
SCHEMBL2947907 0.88 ITGB1 (0.46) ITGB1ITGA4MAPTKDM4ETHRB
SCHEMBL2947915 0.88 ITGB1 (0.46) ITGB1ITGA4MAPTKDM4ETHRB
SCHEMBL2947906 0.88 ITGB1 (0.46) ITGB1ITGA4MAPTKDM4ETHRB
SCHEMBL24359843 0.87 ITGB1 (0.57) ITGB1ITGA4MAPTKDM4ETHRB
N-Monoacetylcystine SCHEMBL20816351 0.87 MAPT (0.48) ITGB1ITGA4MAPTKDM4ETHRB
N-Monoacetylcystine SCHEMBL468826 0.87 MAPT (0.48) ITGB1ITGA4MAPTKDM4ETHRB
N-Monoacetylcystine SCHEMBL29438781 0.87 MAPT (0.48) ITGB1ITGA4MAPTKDM4ETHRB
N-Monoacetylcystine SCHEMBL111494 0.87 MAPT (0.48) ITGB1ITGA4MAPTKDM4ETHRB

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3028696-B1 AGENT FOR ALLEVIATING SIDE EFFECTS IN CANCER CHEMOTHERAPY AJINOMOTO KK (JP) 2021-01-27 — — EP disclosed
US-10786471-B2 Methods and products related to glutaminase inhibitors MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-09-29 — — US disclosed
WO-2018145109-A1 METHODS AND PRODUCTS RELATED TO GLUTAMINASE INHIBITORS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2018-08-09 — — WO disclosed
US-20180221321-A1 METHODS AND PRODUCTS RELATED TO GLUTAMINASE INHIBITORS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2018-08-09 — — US disclosed
EP-3028696-A1 AGENT FOR ALLEVIATING SIDE EFFECTS IN CANCER CHEMOTHERAPY Ajinomoto Co., Inc. (JP) 2016-06-08 — — EP disclosed
US-20160143871-A1 AGENT FOR ALLEVIATING SIDE EFFECTS IN CANCER CHEMOTHERAPY AJINOMOTO CO., INC. (JP) 2016-05-26 — — US disclosed
CN-105392478-A Agent for reducing side effects in cancer chemotherapy AJINOMOTO KK 2016-03-09 — — CN disclosed
US-7767714-B2 Method of preventing infectious diseases AJINOMOTO CO., INC. (JP) 2010-08-03 — — US disclosed
EP-1486208-B1 USE OF A NOVEL PREVENTIVE FOR INFECTIONS AJINOMOTO KK (JP) 2006-09-27 — — EP disclosed
US-20050090511-A1 Novel method of preventing infectious diseases AJINOMOTO CO., INC. (JP) 2005-04-28 — — US disclosed
EP-1486208-A1 NOVEL PREVENTIVE FOR INFECTIONS Ajinomoto Co., Inc. (JP) 2004-12-15 — — EP disclosed
US-5780508-A IMMUNOSTIMULANTS N,N'-DIACETYL-L-CYSTINE ASTRA AKTIEBOLAG (SE) 1998-07-14 — — US disclosed
WO-1997046229-A1 NEW USE OF DERIVATIVES OF CYSTINE ASTRA AKTIEBOLAG (SE) 1997-12-11 — — WO disclosed
EP-0532595-B1 THE PHARMACOLOGICAL USE OF CERTAIN CYSTINE DERIVATIVES ASTRA AB (SE) 1996-10-30 — — EP disclosed
EP-0727207-A1 The pharmacological use of certain cystine derivatives Astra Aktiebolag (SE) 1996-08-21 — — EP disclosed
US-5441976-A Immunostimulants AKTIEBOLAGET ASTRA (SE) 1995-08-15 — — US disclosed
EP-0532595-A1 THE PHARMACOLOGICAL USE OF CERTAIN CYSTINE DERIVATIVES. ASTRA AB (SE) 1993-03-24 — — EP disclosed
WO-1991018594-A1 THE PHARMACOLOGICAL USE OF CERTAIN CYSTINE DERIVATIVES AKTIEBOLAGET ASTRA (SE) 1991-12-12 — — 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 (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-20180221321-A1 METHODS AND PRODUCTS RELATED TO GLUTAMINASE INHIBITORS GLS, GLS2, GLUL ITGB1 4163/4885ITGA4 4550/4885MAPT 3652/4885
US-10786471-B2 Methods and products related to glutaminase inhibitors GLS, GLS2, GLUL ITGB1 4163/4885ITGA4 4550/4885MAPT 3652/4885

“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.

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