SCHEMBL67051

SCHEMBL67051

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nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.38
CTSK P43235 2/20 0.38
AAK1 Q2M2I8 2/20 0.32
MMP13 P45452 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MME P08473 1/20 0.30
ACE P12821 1/20 0.30
CPA1 P15085 1/20 0.30
ACE2 Q9BYF1 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
SCHEMBL1128243 1.00 CTSS (0.38) CTSSCTSKAAK1MMP13KMT2A
SCHEMBL67050 1.00 CTSS (0.38) CTSSCTSKAAK1MMP13KMT2A
SCHEMBL31703376 1.00 CTSS (0.38) CTSSCTSKAAK1MMP13KMT2A
SCHEMBL27645074 1.00 CTSS (0.38) CTSSCTSKAAK1MMP13KMT2A
SCHEMBL1486202 1.00 CTSS (0.38) CTSSCTSKAAK1MMP13KMT2A
SCHEMBL8460615 0.87 CA2 (0.34) CTSSCTSKAAK1MMP13KMT2A
SCHEMBL10273899 0.87 AAK1 (0.32) AAK1MMP13KMT2AMEN1GAA
SCHEMBL28760575 0.85 CTSS (0.38) CTSSCTSKKMT2AMEN1GAA
SCHEMBL11661957 0.85 CTSS (0.38) CTSSCTSKKMT2AMEN1GAA
SCHEMBL11661955 0.85 CTSS (0.38) CTSSCTSKKMT2AMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260015313-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF PEPTIDREAM INC (JP) 2026-01-15 US disclosed
EP-4534524-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF PeptiDream Inc. (JP) 2025-04-09 EP disclosed
CN-109475592-B Novel fatty acid modified urocortin-2 analogs for the treatment of diabetes and chronic kidney disease 伊莱利利公司 2022-08-09 CN disclosed
US-9464066-B2 Deuterated compounds useful for treating neurodegenerative diseases PHARMATROPHIX, INC. (US) 2016-10-11 US disclosed
US-20160229823-A1 DEUTERATED COMPOUNDS USEFUL FOR TREATING NEURODEGENERATIVE DISEASES Ricerca Biosciences, LLC 2016-08-11 US disclosed
EP-1957518-B1 NEW CYCLIC PEPTIDE COMPOUNDS ASTELLAS PHARMA INC (JP) 2015-12-09 EP disclosed
US-9067881-B2 4-tolyl-ethynyl-octahydro-indole-1-ester derivatives NOVARTIS AG (CH) 2015-06-30 US disclosed
EP-2668159-A1 4-TOLYL-ETHYNYL-OCTAHYDRO-INDOLE-1-ESTER DERIVATIVES Novartis AG (CH) 2013-12-04 EP disclosed
US-20130303538-A1 4-Tolyl-ethynyl-octahydro-indole-1-ester derivatives NOVARTIS PHARMA AG (CH) 2013-11-14 US disclosed
US-20120322799-A1 DEUTERATED COMPOUNDS USEFUL FOR TREATING NEURODEGENERATIVE DISEASES PHARMATROPHIX, INC. (US) 2012-12-20 US disclosed
EP-1599471-A1 HYDROXYMETHYL SUBSTITUTED DIHYDROISOXAZOLE DERIVATIVES USEFUL AS ANTIBIOTIC AGENTS Astrazeneca AB (SE) 2005-11-30 EP disclosed
WO-2004078753-A1 HYDROXYMETHYL SUBSTITUTED DIHYDROISOXAZOLE DERIVATIVES USEFUL AS ANTIBIOTIC AGENTS ASTRAZENECA AB (SE) 2004-09-16 WO disclosed
US-20040072892-A1 Cyanopyrrolidine derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 2004-04-15 US disclosed
EP-1333025-A1 CYANOPYRROLIDINE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD (JP) 2003-08-06 EP disclosed
US-6117841-A USED TO TREAT STROKE, CEREBRAL ISCHEMIA, PAIN, HEAD TRAUMA OR EPILEPSY WARNER-LAMBERT COMPANY (US) 2000-09-12 US disclosed
WO-1998054123-A1 SUBSTITUTED PEPTIDYLAMINE CALCIUM CHANNEL BLOCKERS WARNER-LAMBERT COMPANY (US) 1998-12-03 WO disclosed
EP-0564924-B1 2-Oxoethyl derivatives as immunosuppressants BAYER AG (US) 1998-09-09 EP disclosed
US-5686424-A FOR TREATING INFLAMMATION MILES INC. (US) 1997-11-11 US disclosed
WO-1997005126-A1 MUPIROCINSULFAMATES WITH ANTIBACTERIAL ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1997-02-13 WO disclosed
EP-0564924-A2 2-Oxoethyl derivatives as immunosuppressants Bayer Corporation (US) 1993-10-13 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 (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-20130303538-A1 4-Tolyl-ethynyl-octahydro-indole-1-ester derivatives TPH1, IDO1, TPH2 CTSS 3602/4885CTSK 3789/4885AAK1 1904/4885
US-20040072892-A1 Cyanopyrrolidine derivatives CCR9, OPRD1, CBR1 CTSS 3839/4885CTSK 3996/4885AAK1 3823/4885
US-20260015313-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF NSUN3, BCAT1, SLC43A1 CTSS 4022/4885CTSK 4661/4885AAK1 4583/4885
US-20160229823-A1 DEUTERATED COMPOUNDS USEFUL FOR TREATING NEURODEGENERATIVE DISEASES NLN, NGF, BDNF CTSS 972/4885CTSK 1045/4885AAK1 3603/4885
US-20120322799-A1 DEUTERATED COMPOUNDS USEFUL FOR TREATING NEURODEGENERATIVE DISEASES NLN, NGF, BDNF CTSS 972/4885CTSK 1045/4885AAK1 3603/4885

“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.