SCHEMBL3679098

SCHEMBL3679098

CCOC(=O)CN(C(C)=O)C(=O)C(CS)NC(=O)CCC(N)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.47
GSTK1 Q9Y2Q3 1/20 0.47
NOD1 Q9Y239 12/20 0.43
GLO1 Q04760 1/20 0.40
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
FOLH1 Q04609 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
SCHEMBL5812833 0.92 NOD1 (0.42) PTGS1GSTK1NOD1GLO1KMT2A
SCHEMBL6657807 0.92 PTGS1 (0.46) PTGS1GSTK1NOD1GLO1FOLH1
SCHEMBL6659930 0.91 PTGS1 (0.47) PTGS1GSTK1NOD1GLO1KMT2A
SCHEMBL6662543 0.90 PTGS1 (0.50) PTGS1GSTK1NOD1GLO1FOLH1
SCHEMBL6662744 0.87 PTGS1 (0.47) PTGS1GSTK1NOD1GLO1FOLH1
SCHEMBL6656921 0.86 NOD1 (0.41) PTGS1GSTK1NOD1GLO1KMT2A
SCHEMBL236404 0.86 PTGS1 (0.56) PTGS1GSTK1NOD1GLO1FOLH1
SCHEMBL5058672 0.86 PTGS1 (0.56) PTGS1GSTK1NOD1GLO1FOLH1
SCHEMBL6664720 0.84 PTGS1 (0.45) PTGS1GSTK1NOD1GLO1FOLH1
SCHEMBL246687 0.84 PTGS1 (0.46) PTGS1GSTK1NOD1GLO1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100099762-A1 COMBINATION THERAPY THE MENTAL HEALTH RESEARCH INSTITUTE OF VICTORIA (AU) 2010-04-22 US claimed
EP-2076239-A1 COMBINATION THERAPY The Mental Health Research Institute of Victoria (AU) 2009-07-08 EP claimed
EP-1539023-A4 TREATMENT OF MULTIPLE SCLEROSIS WITH BRAIN TARGETED ANTI OXIDANT COMPOUNDS YISSUM RES DEV CO (IL) 2008-12-31 EP claimed
WO-2008049157-A1 COMBINATION THERAPY THE MENTAL HEALTH RESEARCH INSTITUTE OF VICTORIA (AU) 2008-05-02 WO claimed
US-20060211628-A1 Treatment of multiple sclerosis with brain targeted anti oxidant compounds MOR RESEARCH APPLICATIONS LTD. (IL) 2006-09-21 US claimed
EP-1539023-A2 TREATMENT OF MULTIPLE SCLEROSIS WITH BRAIN TARGETED ANTI OXIDANT COMPOUNDS Yissum Research Development Company, of The Hebrew University of Jerusalem (IL) 2005-06-15 EP claimed
EP-0948258-A4 BRAIN TARGETED LOW MOLECULAR WEIGHT HYDROPHOBIC ANTIOXIDANT COMPOUNDS YISSUM RES DEV CO (IL) 2004-12-01 EP claimed
US-20040147452-A1 Non-amphoteric glutathione derivative compositions for tropical application YU RUEY J 2004-07-29 US claimed
WO-2004012652-A9 TREATMENT OF MULTIPLE SCLEROSIS WITH BRAIN TARGETED ANTI OXIDANT COMPOUNDS YISSUM RES DEV CO (IL) 2004-06-17 WO claimed
WO-2004012652-A2 TREATMENT OF MULTIPLE SCLEROSIS WITH BRAIN TARGETED ANTI OXIDANT COMPOUNDS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2004-02-12 WO claimed
WO-2004010968-A1 NON-AMPHOTERIC GLUTATHIONE DERIVATIVE COMPOSITIONS FOR TOPICAL APPLICATION YU RUEY J (US) 2004-02-05 WO claimed
EP-1242070-A4 TREATMENT OF ISCHEMIC BRAIN INJURIES WITH BRAIN TARGETTED ANTIOXIDANT COMPOUNDS YISSUM RES DEV CO (IL) 2003-05-28 EP claimed
US-20030083266-A1 Treatment of ischemic brain injuries with brain targeted antioxidant compounds RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2003-05-01 US claimed
EP-1242070-A2 TREATMENT OF ISCHEMIC BRAIN INJURIES WITH BRAIN TARGETTED ANTIOXIDANT COMPOUNDS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2002-09-25 EP claimed
US-6369106-B1 SULFHYDRYL CONTAINING COMPOUND AS ANTIOXIDANT YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2002-04-09 US claimed
WO-2001047469-A2 TREATMENT OF ISCHEMIC BRAIN INJURIES WITH BRAIN TARGETTED ANTIOXIDANT COMPOUNDS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2001-07-05 WO claimed
EP-0948258-A1 BRAIN TARGETED LOW MOLECULAR WEIGHT HYDROPHOBIC ANTIOXIDANT COMPOUNDS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 1999-10-13 EP claimed
WO-1998029375-A1 BRAIN TARGETED LOW MOLECULAR WEIGHT HYDROPHOBIC ANTIOXIDANT COMPOUNDS YISSUM RESEARCH AND DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 1998-07-09 WO claimed
US-11896032-B2 Agent for improving feed conversion rate, agent for improving survival rate, agent for improving the number of eggs laid by egg-laying hen, and method of giving same to animals, and feed TSUBAKISANGYO CO., LTD. (JP) 2024-02-13 US disclosed
US-5464825-A Metabolism, transport, protection CORNELL RESEARCH FOUNDATION, INC. (US) 1995-11-07 US 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-20100099762-A1 COMBINATION THERAPY GPX1, GPX4, GSTA2 PTGS1 759/4885GSTK1 23/4885NOD1 3803/4885
US-20060211628-A1 Treatment of multiple sclerosis with brain targeted anti oxidant compounds TXNRD2, TXN2, TXNRD1 PTGS1 473/4885GSTK1 36/4885NOD1 4423/4885
US-20030083266-A1 Treatment of ischemic brain injuries with brain targeted antioxidant compounds GPX4, GPX1, TXN2 PTGS1 192/4885GSTK1 13/4885NOD1 4737/4885

“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.