SCHEMBL3045787

SCHEMBL3045787

CCCCCN[C@@H](CSSC[C@H](NCCCCC)C(=O)O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ EPHX1 P07099 6/20 0.39
▸ ITGB3 P05106 1/20 0.39
▸ ITGA2B P08514 1/20 0.39
▸ FNTA P49354 1/20 0.38
▸ FNTB P49356 1/20 0.38
▸ ZDHHC20 Q5W0Z9 1/20 0.38
▸ ZDHHC2 Q9UIJ5 1/20 0.38
▸ PLA2G2A P14555 2/20 0.37
▸ PLA2G5 P39877 2/20 0.37
▸ GPR84 Q9NQS5 3/20 0.37
▸ FFAR1 O14842 1/20 0.37
▸ CPB2 Q96IY4 1/20 0.36
▸ MAPT P10636 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
SCHEMBL3045784 1.00 NOD1 (0.46) NOD1SMN1; SMN2EPHX1ITGB3ITGA2B
SCHEMBL3045780 1.00 NOD1 (0.46) NOD1SMN1; SMN2EPHX1ITGB3ITGA2B
SCHEMBL10488527 0.98 NOD1 (0.48) NOD1SMN1; SMN2EPHX1FNTAFNTB
SCHEMBL10488520 0.98 NOD1 (0.48) NOD1SMN1; SMN2EPHX1FNTAFNTB
SCHEMBL13033691 0.98 NOD1 (0.48) NOD1SMN1; SMN2EPHX1FNTAFNTB
SCHEMBL8573661 0.98 NOD1 (0.48) NOD1SMN1; SMN2EPHX1FNTAFNTB
SCHEMBL10488513 0.98 NOD1 (0.48) NOD1SMN1; SMN2EPHX1FNTAFNTB
SCHEMBL8573652 0.98 NOD1 (0.48) NOD1SMN1; SMN2EPHX1FNTAFNTB
SCHEMBL7208125 0.92 NOD1 (0.41) NOD1SMN1; SMN2EPHX1ITGB3ITGA2B
SCHEMBL4955824 0.86 ITGB1 (0.38) NOD1SMN1; SMN2CPB2MAPT

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-3028696-B1 AGENT FOR ALLEVIATING SIDE EFFECTS IN CANCER CHEMOTHERAPY AJINOMOTO KK (JP) 2021-01-27 — — EP claimed
US-7767714-B2 Method of preventing infectious diseases AJINOMOTO CO., INC. (JP) 2010-08-03 — — US claimed
US-20080119551-A1 SKIN COSMETICS COMPRISING A CYSTINE DERIVATIVE AND A CHEMICAL PEELING AGENT, A BACTERICIDE, AN ANIONIC SUFACTANT, OR A CATIONIC SURFACTANT AJINOMOTO CO. INC (JP) 2008-05-22 — — US claimed
US-20050079502-A1 Transplant rejection suppressor AJINOMOTO CO. INC. (JP) 2005-04-14 — — US claimed
JP-4074116-A — — None — — JP disclosed
JP-11302250-A — — None — — JP disclosed
EP-2763658-B1 TARGETED LIPOSOMES IN CANCER THERAPY UNIV WESTERN HEALTH SCIENCES (US) 2021-06-23 — — EP disclosed
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-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
US-20050079502-A1 Transplant rejection suppressor AJINOMOTO CO. INC. (JP) 2005-04-14 — — US disclosed
JP-2005060360-A OPHTHALMIC MEDICINE YAMADA JUN 2005-03-10 — — JP disclosed
EP-1486208-A1 NOVEL PREVENTIVE FOR INFECTIONS Ajinomoto Co., Inc. (JP) 2004-12-15 — — EP disclosed
JP-H11302250-A PRODUCTION OF N,N'-DIACYLCYSTINE DERIVATIVE NAMIKI SHOJI KK 1999-11-02 — — JP disclosed
JP-H0474116-A LIPOSOME AGENCY OF IND SCIENCE & TECHNOL 1992-03-09 — — JP 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-20180221321-A1 METHODS AND PRODUCTS RELATED TO GLUTAMINASE INHIBITORS GLS, GLS2, GLUL NOD1 4655/4885SMN1; SMN2 3913/4885EPHX1 1776/4885
US-20080119551-A1 SKIN COSMETICS COMPRISING A CYSTINE DERIVATIVE AND A CHEMICAL PEELING AGENT, A BACTERICIDE, AN ANIONIC SUFACTANT, OR A CATIONIC SURFACTANT CUTA, CTH, SRM NOD1 3602/4885SMN1; SMN2 4515/4885EPHX1 2402/4885
US-10786471-B2 Methods and products related to glutaminase inhibitors GLS, GLS2, GLUL NOD1 4655/4885SMN1; SMN2 3913/4885EPHX1 1776/4885

“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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