SCHEMBL2947915

SCHEMBL2947915

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 2/20 0.46
▸ ITGA4 P13612 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ THPO P40225 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NOS2 P35228 4/20 0.39
▸ NOS1 P29475 3/20 0.39
▸ NOS3 P29474 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TLR2 O60603 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 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
SCHEMBL2947906 1.00 ITGB1 (0.46) ITGB1ITGA4KDM4EMAPTTHRB
SCHEMBL2947907 1.00 ITGB1 (0.46) ITGB1ITGA4KDM4EMAPTTHRB
N-Monoacetylcystine SCHEMBL20816346 0.94 ITGB1 (0.48) ITGB1ITGA4KDM4EMAPTTHRB
SCHEMBL20839967 0.90 ITGB1 (0.42) ITGB1ITGA4KDM4EMAPTTHRB
SCHEMBL31629599 0.88 NOD1 (0.40) ITGB1ITGA4KDM4EMAPTTHRB
SCHEMBL2947911 0.88 ITGB1 (0.46) ITGB1ITGA4KDM4EMAPTTHRB
N-Monoacetylcystine SCHEMBL468824 0.87 MAPT (0.48) ITGB1ITGA4KDM4EMAPTTHRB
N-Monoacetylcystine SCHEMBL20816351 0.87 MAPT (0.48) ITGB1ITGA4KDM4EMAPTTHRB
N-Monoacetylcystine SCHEMBL468826 0.87 MAPT (0.48) ITGB1ITGA4KDM4EMAPTTHRB
N-Monoacetylcystine SCHEMBL111494 0.87 MAPT (0.48) ITGB1ITGA4KDM4EMAPTTHRB

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 10 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
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

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 4550/4885KDM4E 1002/4885
US-10786471-B2 Methods and products related to glutaminase inhibitors GLS, GLS2, GLUL ITGB1 4163/4885ITGA4 4550/4885KDM4E 1002/4885

“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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