SCHEMBL198657

SCHEMBL198657

CCCC(O[C]=O)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.37
CTSS P25774 2/20 0.37
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
NOS1 P29475 2/20 0.31
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 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
SCHEMBL10777173 0.87 ZDHHC7 (0.39) CTSKCTSSCA1CA2
SCHEMBL2992403 0.85 CTSS (0.34) CTSKCTSS
SCHEMBL1100608 0.79 ALDH1A1 (0.36) MEN1GAAKMT2A
SCHEMBL1100758 0.79 CA1 (0.41) CA1CA2
SCHEMBL1070843 0.78 HDAC1 (0.34)
SCHEMBL9267217 0.77 LMNA (0.30) KMT2A
SCHEMBL1788899 0.76 LMNA (0.35)
SCHEMBL7553021 0.76 ZDHHC7 (0.35) CA1CA2
SCHEMBL5916192 0.75 CTSK (0.34) CTSKCTSSCA1CA2NOS1
SCHEMBL9054275 0.75 ALDH1A1 (0.44) CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0011283-A1 New lactyl tetrapeptide, processes for preparation thereof and pharmaceutical compositions containing it FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-05-28 EP claimed
EP-3259255-A1 (2R,4R)-5-(5'-CHLORO-2'-FLUOROBIPHENYL-4-YL)-2-HYDROXY-4-[(5-METHYLOXAZOLE-2-CARBONYL)AMINO]PENTANOIC ACID Theravance Biopharma R&D IP, LLC (US) 2017-12-27 EP disclosed
EP-3256446-A1 (2S, 4R)-5-(5'-CHLORO-2'-FLUOROBIPHENYL-4-YL)-2-ETHOXYOXALYLAMINO)-2-HYDROXYMETHYL-2-METHYLPENTANOIC ACID AS NEPRILYSIN INHIBITOR Theravance Biopharma R&D IP, LLC (US) 2017-12-20 EP disclosed
EP-1373185-B1 HYDROPHOBIC POLYAMINE ANALOGS AND METHODS FOR THEIR USE AMINEX THERAPEUTICS INC (US) 2017-03-01 EP disclosed
WO-2016133803-A1 (2R,4R)-5-(5'-CHLORO-2'-FLUOROBIPHENYL-4-YL)-2-HYDROXY-4-[(5-METHYLOXAZOLE-2-CARBONYL)AMINO]PENTANOIC ACID THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-08-25 WO disclosed
WO-2016130650-A1 (2S, 4R)-5-(5'-CHLORO-2'-FLUOROBIPHENYL-4-YL)-2-ETHOXYOXALYLAMINO)-2-HYDROXYMETHYL-2-METHYLPENTANOIC ACID AS NEPRILYSIN INHIBITOR THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-08-18 WO disclosed
US-9066954-B2 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2015-06-30 US disclosed
US-20130303529-A1 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2013-11-14 US disclosed
US-8524900-B2 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2013-09-03 US disclosed
US-8314087-B2 Nitrogen-containing heterocyclyl ketones and methods of use AMGEN INC. (US) 2012-11-20 US disclosed
US-6348463-B1 Phenylalanine derivatives CELLTECH THERAPEUTICS LIMITED (GB) 2002-02-19 US disclosed
US-6319922-B1 ALPHA-PYRIMIDYL-SUBSTITUTED; USEFUL FOR TREATING DISEASES INCLUDING INFLAMMATORY DISEASES, AND DISEASES INVOLVING ANGIOGENESIS, BONE RESORPTION OR CELLULAR OR MATRIX OVER-EXPANSION. CELLTECH THERAPEUTICS LIMITED (GB) 2001-11-20 US disclosed
US-20010034341-A1 Ring opening metathesis of alkenes CUNY GREGORY D (US) 2001-10-25 US disclosed
WO-2001009093-A1 BENZENAMINE DERIVATIVES AS ANTI-COAGULANTS BERLEX LABORATORIES, INC. (US) 2001-02-08 WO disclosed
US-6177464-B1 BACTERICIDES SEPRACOR, INC. 2001-01-23 US disclosed
EP-0966457-A1 RING OPENING METATHESIS OF ALKENES SEPRACOR, INC. (US) 1999-12-29 EP disclosed
US-5889148-A Antibiotic peptides MOGAM BIOTECHNOLOGY RESEARCH INSTITUTE (KR) 1999-03-30 US disclosed
US-5843693-A Assay method for screening for inhibitors of proTNF conversion CHIRON CORPORATION (US) 1998-12-01 US disclosed
WO-1998040373-A1 RING OPENING METATHESIS OF ALKENES SEPRACOR, INC. (US) 1998-09-17 WO disclosed
WO-1997002286-A1 NOVEL ANTIBIOTIC PEPTIDES MOGAM BIOTECHNOLOGY RESEARCH INSTITUTE (KR) 1997-01-23 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 (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-20010034341-A1 Ring opening metathesis of alkenes LSS, BAK1, LTC4S CTSK 365/4885CTSS 263/4885CA1 3146/4885
US-20130303529-A1 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE HGF, HGFAC, MET CTSK 1369/4885CTSS 620/4885CA1 2847/4885

“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.