SCHEMBL1006669

SCHEMBL1006669

CC(=O)NC([C]=O)CC(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
NFKB1 P19838 1/20 0.33
PTGS2 P35354 1/20 0.33
THPO P40225 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADAM17 P78536 1/20 0.33
KISS1R Q969F8 3/20 0.32
FOLH1 Q04609 2/20 0.32
NAALAD2 Q9Y3Q0 2/20 0.32
RNPEP Q9H4A4 1/20 0.32
SLC7A5 Q01650 1/20 0.32

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
SCHEMBL1006670 1.00 ALDH1A1 (0.50) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL3365403 0.85 ALDH1A1 (0.55) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL3834367 0.85 ALDH1A1 (0.55) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL9125697 0.81 PSMB5 (0.41) ALDH1A1MAPTNFKB1MMP1
SCHEMBL9125703 0.81 PSMB5 (0.41) ALDH1A1MAPTNFKB1MMP1
SCHEMBL4050884 0.81 ALDH1A1 (0.39) ALDH1A1MAPTKDM4ETHRBALOX15
SCHEMBL7377102 0.79 PSMB5 (0.41) ALDH1A1TDP1
SCHEMBL27509909 0.79 ALDH1A1 (0.34) ALDH1A1MEN1LMNAKMT2AFOLH1
SCHEMBL11136853 0.79 PSMB5 (0.41) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL7999623 0.79 ALDH1A1 (0.38) ALDH1A1KISS1RRNPEPSLC7A5TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US claimed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP claimed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO claimed
US-20110118172-A1 METASTIN DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 US disclosed
EP-2277900-A1 METASTIN DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2011-01-26 EP disclosed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
US-20080039531-A1 Compositions, and kits comprising targeted aldehyde or acetal protease inhibitor compounds for treating muscle disorders STRACHER ALFRED 2008-02-14 US disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US disclosed
WO-2005124563-A2 COMPOUNDS AND KITS FOR TREATING MUSCLE DISORDERS AND METHODS OF USE THEREOF CEPTOR CORPORATION (US) 2005-12-29 WO disclosed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO disclosed
CN-1089606-A Antiretroviral acyl compounds CIBA GEIGY AG (CH) 1994-07-20 CN disclosed
EP-0594540-A1 Antiretroviral acyl compounds CIBA-GEIGY AG (CH) 1994-04-27 EP disclosed
EP-0573652-A1 REMEDY FOR RENAL DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-12-15 EP disclosed
WO-1993012796-A1 USE OF RENIN INHIBITORS FOR THE TREATMENT OF GLAUCOMA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-07-08 WO disclosed
US-5223489-A Treatment of ypertension and heart failure UJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-06-29 US disclosed
US-5142048-A Enzyme inhibitor; carbamoyl group-containing acids FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1992-08-25 US disclosed
US-4921855-A New Histidyl amino acid derivatives, and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-05-01 US disclosed
EP-0300189-A2 New amino acid derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-01-25 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 (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-20080039531-A1 Compositions, and kits comprising targeted aldehyde or acetal protease inhibitor compounds for treating muscle disorders CPT1B, CAPNS1, CAPN1 ALDH1A1 63/4885MEN1 4472/4885LMNA 153/4885
US-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS ALDH1A1 4151/4885MEN1 3247/4885LMNA 3686/4885
US-20110118172-A1 METASTIN DERIVATIVE AND USE THEREOF GNRHR, SHBG, INHA ALDH1A1 3515/4885MEN1 4/4885LMNA 3852/4885

“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.