SCHEMBL970914

SCHEMBL970914

COC(=O)c1ccc(C#Cc2ccccc2F)o1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.66
LMNA P02545 3/20 0.66
KDM4E B2RXH2 2/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
ACACB O00763 1/20 0.47
HTT P42858 3/20 0.45
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
KMT2A Q03164 4/20 0.42
POLB P06746 2/20 0.42
MEN1 O00255 2/20 0.42
CYP1A2 P05177 2/20 0.42
HPGD P15428 2/20 0.42
GAA P10253 1/20 0.42
CYP2C9 P11712 1/20 0.42
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL6810736 0.85 ALDH1A1 (0.48) ALDH1A1LMNAKDM4EL3MBTL1PRSS1
SCHEMBL6805955 0.81 PRSS1 (0.44) ALDH1A1LMNAKDM4EL3MBTL1PRSS1
SCHEMBL8278416 0.79 PRSS1 (0.45) ALDH1A1LMNAKDM4EL3MBTL1PRSS1
SCHEMBL5371049 0.74 KMT2A (0.49) ALDH1A1LMNAKDM4EL3MBTL1HTT
SCHEMBL28422449 0.73 ALDH1A1 (0.63) ALDH1A1LMNAKDM4EL3MBTL1ACACB
SCHEMBL24230149 0.72 ALDH1A1 (0.55) ALDH1A1LMNAKDM4EL3MBTL1HTT
SCHEMBL24230253 0.72 ALDH1A1 (0.51) ALDH1A1KDM4EL3MBTL1HTTKMT2A
SCHEMBL29374341 0.72 ALDH1A1 (0.55) ALDH1A1LMNAKDM4EL3MBTL1HTT
SCHEMBL2109413 0.72 GRM5 (0.39) ALDH1A1LMNAKDM4EL3MBTL1PRSS1
SCHEMBL6444899 0.72 ALDH1A1 (0.61) ALDH1A1LMNAKDM4EL3MBTL1ACACB

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130225825-A1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2013-08-29 US disclosed
US-20110015400-A1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-01-20 US disclosed
EP-1723140-B1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS AVENTIS PHARMA INC (US) 2009-11-04 EP disclosed
US-20070197597-A1 Process for the preparation of tryptase inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-23 US disclosed
US-20070197597-A1 Process for the preparation of tryptase inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-23 US disclosed
EP-1723140-A1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS Aventis Pharmaceuticals Inc. (US) 2006-11-22 EP disclosed
WO-2005095385-A1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2005-10-13 WO disclosed
EP-1571150-A1 Process for the preparation of tryptase inhibitors Aventis Pharma Deutschland GmbH (DE) 2005-09-07 EP disclosed
US-20040192734-A1 4-(3-aminomethylphenyl)piperidin-1-yl]-[5-(2-fluorophenylethynyl)furan-2-yl]-methanone as an inhibitor of mast cell tryptase AVENTIS PHARMACEUTICALS INC. (US) 2004-09-30 US disclosed
WO-2004060884-A1 [4-(3-AMINOMETHYLPHENYL) PIPERIDIN-1-YL]- [5-(2-FLUOROPHENYLETHYNYL)FURAN-2-YL]-METHANONE AS AN INHIBITOR OF MAST CELL TRYPTASE AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 WO disclosed
WO-2004060884-A1 [4-(3-AMINOMETHYLPHENYL) PIPERIDIN-1-YL]- [5-(2-FLUOROPHENYLETHYNYL)FURAN-2-YL]-METHANONE AS AN INHIBITOR OF MAST CELL TRYPTASE AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 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 (4 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-20130225825-A1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS CMA1, TPSAB1, TPSB2 ALDH1A1 1305/4885LMNA 856/4885KDM4E 1980/4885
US-20110015400-A1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS CMA1, TPSAB1, TPSB2 ALDH1A1 1305/4885LMNA 856/4885KDM4E 1980/4885
US-20040192734-A1 4-(3-aminomethylphenyl)piperidin-1-yl]-[5-(2-fluorophenylethynyl)furan-2-yl]-methanone as an inhibitor of mast cell tryptase CMA1, TPSB2, TPSAB1 ALDH1A1 407/4885LMNA 2046/4885KDM4E 545/4885
US-20070197597-A1 Process for the preparation of tryptase inhibitors CMA1, TPSAB1, TPSB2 ALDH1A1 1305/4885LMNA 856/4885KDM4E 1980/4885

“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.