SCHEMBL646561

SCHEMBL646561

[CH2]CCCNC(=O)OCc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.72
TGM2 P21980 1/20 0.68
LMNA P02545 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
KEAP1 Q14145 2/20 0.62
NFE2L2 Q16236 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.55
MAPT P10636 1/20 0.53
FOLH1 Q04609 3/20 0.53
SLC1A3 P43003 1/20 0.52
SLC1A1 P43005 1/20 0.52
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
DPP8 Q6V1X1 1/20 0.51
DPP7 Q9UHL4 1/20 0.51
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50

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
SCHEMBL3728729 0.95 HTT (0.70) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL4159934 0.94 TGM2 (0.72) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL9779379 0.94 TGM2 (0.72) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL12487959 0.94 TGM2 (0.72) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL1415897 0.90 LMNA (0.71) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL18254066 0.90 HTT (0.81) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL15346534 0.88 HTT (0.79) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL9340146 0.88 HTT (0.79) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL9874334 0.88 HTT (0.79) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL13055383 0.86 LMNA (0.80) HTTTGM2LMNASMN1; SMN2KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2457896-A1 Tripeptides as caspase modulators Idun Pharmaceuticals, Inc. (US) 2012-05-30 EP claimed
US-20100190688-A1 Tetrapeptide analogs IDUN PHARMACEUTICALS, INC. 2010-07-29 US claimed
US-20090221488-A1 Certain Compositions and Methods of Treatment CYTOKINETICS, INC. 2009-09-03 US claimed
EP-1786265-A4 NOVEL COMPOSITIONS AND METHODS OF TREATMENT SMITHKLINE BEECHAM CORP (US) 2009-08-19 EP claimed
EP-1773348-A4 TETRAPEPTIDE ANALOGS IDUN PHARMACEUTICALS INC (US) 2009-05-20 EP claimed
US-7528137-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2009-05-05 US claimed
US-7482343-B2 Compounds, methods and compositions CYTOKINETICS, INC. (US) 2009-01-27 US claimed
US-7476743-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2009-01-13 US claimed
US-7439254-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2008-10-21 US claimed
EP-1692112-A4 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2008-09-24 EP claimed
EP-0491053-A1 WATER-SOLUBLE BIS-DIOXOPIPERAZINE DERIVATIVES WITH ANTITUMORAL PROPERTIES ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 1992-06-24 EP claimed
EP-0473337-A2 Nor-statine and nor-cyclostatine polypeptides in the treatment of ocular hypertension and glaucoma PFIZER INC. (US) 1992-03-04 EP claimed
US-5036104-A ENZYME INHIBITORS PFIZER INC. (US) 1991-07-30 US claimed
US-5034376-A Nor-statine and nor-cyclostatine polypeptides PFIZER INC. (US) 1991-07-23 US claimed
EP-0428849-A2 Retroviral protease inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1991-05-29 EP claimed
US-4935405-A Nor-statine and nor-cyclostatine polypeptides PFIZER INC. (US) 1990-06-19 US claimed
EP-0119954-B1 3-AMINO-1-BENZAZEPIN-2-ONE-1-ALCANOIC ACIDS, PROCESS FOR THEIR PREPARATION, THEIR PHARMACEUTICAL PREPARATION AS WELL AS THEIR THERAPEUTIC USE CIBA-GEIGY AG (CH) 1990-03-14 EP claimed
EP-0266950-A2 Nor-statine and nor-cyclostatine polypeptides PFIZER INC. (US) 1988-05-11 EP claimed
US-4591459-A Intermediates for 6-(aminoacyloxymethyl) penicillanic acid 1,1-dioxides PFIZER INC. (US) 1986-05-27 US claimed
EP-0119954-A2 3-Amino-1-benzazepin-2-one-1-alcanoic acids, process for their preparation, their pharmaceutical preparation as well as their therapeutic use CIBA-GEIGY AG (CH) 1984-09-26 EP claimed

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-20090221488-A1 Certain Compositions and Methods of Treatment TOP2A, TOP2B, TOP1 HTT 2056/4885TGM2 2718/4885LMNA 1960/4885
US-20100190688-A1 Tetrapeptide analogs TP53, PCNA, HRAS HTT 969/4885TGM2 455/4885LMNA 2061/4885

“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.