SCHEMBL2953807

SCHEMBL2953807

CCOC(=O)C(CSSCC(NC(C)=O)C(=O)OCC)NC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
CAD P27708 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 4/20 0.39
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38
NFKB1 P19838 1/20 0.38
PTGS2 P35354 1/20 0.38
THPO P40225 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
LMNA P02545 2/20 0.38

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
SCHEMBL2953811 1.00 CYP1A2 (0.44) CYP1A2CYP2C9CYP2C19HTTCAD
SCHEMBL2953812 1.00 CYP1A2 (0.44) CYP1A2CYP2C9CYP2C19HTTCAD
SCHEMBL19216892 0.95 ITGB1 (0.43) CYP1A2CYP2C9CYP2C19HTTCAD
SCHEMBL11773446 0.93 SMN1; SMN2 (0.46) CYP1A2CYP2C9CYP2C19HTTCAD
SCHEMBL11773441 0.93 SMN1; SMN2 (0.46) CYP1A2CYP2C9CYP2C19HTTCAD
SCHEMBL24378377 0.92 CYP1A2 (0.40) CYP1A2CYP2C9CYP2C19HTTCAD
SCHEMBL30416798 0.90 CAD (0.40) CYP1A2CYP2C9CYP2C19HTTCAD
SCHEMBL13138368 0.89 SMN1; SMN2 (0.43) CYP1A2CYP2C9CYP2C19HTTCAD
SCHEMBL21554072 0.89 CYP1A2 (0.44) CYP1A2CYP2C9CYP2C19HTTCAD
SCHEMBL19176028 0.89 CYP1A2 (0.44) CYP1A2CYP2C9CYP2C19HTTCAD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997046229-A1 NEW USE OF DERIVATIVES OF CYSTINE ASTRA AKTIEBOLAG (SE) 1997-12-11 WO claimed
EP-0532595-B1 THE PHARMACOLOGICAL USE OF CERTAIN CYSTINE DERIVATIVES ASTRA AB (SE) 1996-10-30 EP claimed
US-5441976-A Immunostimulants AKTIEBOLAGET ASTRA (SE) 1995-08-15 US claimed
EP-0532595-A1 THE PHARMACOLOGICAL USE OF CERTAIN CYSTINE DERIVATIVES. ASTRA AB (SE) 1993-03-24 EP claimed
WO-1991018594-A1 THE PHARMACOLOGICAL USE OF CERTAIN CYSTINE DERIVATIVES AKTIEBOLAGET ASTRA (SE) 1991-12-12 WO claimed
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
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
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
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 CYP1A2 3090/4885CYP2C9 2514/4885CYP2C19 2528/4885
US-10786471-B2 Methods and products related to glutaminase inhibitors GLS, GLS2, GLUL CYP1A2 3090/4885CYP2C9 2514/4885CYP2C19 2528/4885

“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.