SCHEMBL953166

SCHEMBL953166

CC[C@H](C(=O)O)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.39
AAK1 Q2M2I8 2/20 0.36
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
HDAC6 Q9UBN7 2/20 0.33
CTSS P25774 2/20 0.33
CTSK P43235 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
REN P00797 1/20 0.32
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
CA2 P00918 1/20 0.31
MAPK1 P28482 1/20 0.31
CA14 Q9ULX7 2/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA7 P43166 1/20 0.30

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
SCHEMBL1162878 1.00 MMP13 (0.39) MMP13AAK1MEN1GAAKMT2A
SCHEMBL1273585 1.00 MMP13 (0.39) MMP13AAK1MEN1GAAKMT2A
SCHEMBL66573 0.86 HDAC1 (0.41) MMP13AAK1MEN1GAAKMT2A
SCHEMBL67491 0.86 HDAC1 (0.41) MMP13AAK1MEN1GAAKMT2A
SCHEMBL20826464 0.86 HDAC1 (0.41) MMP13AAK1MEN1GAAKMT2A
SCHEMBL626316 0.85 AAK1 (0.39) MMP13AAK1MEN1GAAKMT2A
SCHEMBL13335431 0.85 AAK1 (0.36) MMP13AAK1HDAC6CTSSCTSK
SCHEMBL7401175 0.85 MMP13 (0.39) MMP13AAK1MEN1GAAKMT2A
SCHEMBL626315 0.85 AAK1 (0.39) MMP13AAK1MEN1GAAKMT2A
SCHEMBL7401177 0.85 MMP13 (0.39) MMP13AAK1MEN1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3508476-B1 AMINO MERCAPTAN COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF IN PROTECTION AGAINST RADIATION SHANGHAI KECHOW PHARMA INC (CN) 2023-11-22 EP disclosed
WO-2022139564-A1 NOVEL DERIVATIVE COMPOUND HAVING BIPHENYL GROUP INTRODUCED INTO AMINO-ALKANOIC ACID AND ANTI-INFLAMMATORY COMPOSITION COMPRISING SAME (주)앰틱스바이오 2022-06-30 WO disclosed
US-20210228727-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF VIRAL INFECTIONS CIDARA THERAPEUTICS, INC. (US) 2021-07-29 US disclosed
WO-2020262996-A1 DERIVATIVE COMPOUND INTRODUCING BIPHENYL GROUP INTO NOVEL AMINOALKANOIC ACID AND ANTIFUNGAL PHARMACEUTICAL COMPOSITION COMPRISING SAME (주)앰틱스바이오 2020-12-30 WO disclosed
US-9566312-B2 Cyclic peptides and use as medicines NOVARTIS AG (CH) 2017-02-14 US disclosed
US-9566312-B2 Cyclic peptides and use as medicines NOVARTIS AG (CH) 2017-02-14 US disclosed
US-9566312-B2 Cyclic peptides and use as medicines NOVARTIS AG (CH) 2017-02-14 US disclosed
EP-1957518-B1 NEW CYCLIC PEPTIDE COMPOUNDS ASTELLAS PHARMA INC (JP) 2015-12-09 EP disclosed
US-20150306172-A1 CYCLIC PEPTIDES AND USE AS MEDICINES NOVARTIS AG (CH) 2015-10-29 US disclosed
US-20150306172-A1 CYCLIC PEPTIDES AND USE AS MEDICINES NOVARTIS AG (CH) 2015-10-29 US disclosed
US-20140134132-A1 CYCLIC PEPTIDES AND USE AS MEDICINES NOVARTIS AG (CH) 2014-05-15 US disclosed
US-20140134132-A1 CYCLIC PEPTIDES AND USE AS MEDICINES NOVARTIS AG (CH) 2014-05-15 US disclosed
CN-101305019-B New cyclic peptide compounds ASTELLAS PHARMA INC 2012-12-12 CN disclosed
US-8252895-B2 Cyclic peptide compounds ASTELLAS PHARMA INC. (JP) 2012-08-28 US disclosed
US-7872097-B2 Cyclic peptide compounds ASTELLAS PHARMA INC. (JP) 2011-01-18 US disclosed
US-20100286033-A1 NEW CYCLIC PEPTIDE COMPOUNDS ASTELLAS PHARMA INC. 2010-11-11 US disclosed
US-20090170755-A1 Cyclic Peptide Compounds ASTELLAS PHARMA INC. (JP) 2009-07-02 US disclosed
CN-101305019-A New cyclic peptide compounds ASTELLAS PHARMA INC (JP) 2008-11-12 CN disclosed
EP-1957518-A1 NEW CYCLIC PEPTIDE COMPOUNDS Astellas Pharma Inc. (JP) 2008-08-20 EP disclosed
WO-2007049803-A1 NEW CYCLIC PEPTIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2007-05-03 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 (5 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-20090170755-A1 Cyclic Peptide Compounds VIP, HAVCR2, EIF2AK2 MMP13 3159/4885AAK1 2646/4885MEN1 3591/4885
US-20210228727-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF VIRAL INFECTIONS FCGR3B, ALB, FCGR1A MMP13 1359/4885AAK1 2583/4885MEN1 3968/4885
US-20100286033-A1 NEW CYCLIC PEPTIDE COMPOUNDS VIP, HAVCR2, EIF2AK2 MMP13 3269/4885AAK1 2756/4885MEN1 3864/4885
US-20140134132-A1 CYCLIC PEPTIDES AND USE AS MEDICINES PPIF, VIP, FKBP1B MMP13 2181/4885AAK1 3782/4885MEN1 1814/4885
US-20150306172-A1 CYCLIC PEPTIDES AND USE AS MEDICINES PPIF, VIP, MAVS MMP13 2579/4885AAK1 3777/4885MEN1 1766/4885

“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.