SCHEMBL6805955

SCHEMBL6805955

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.44
PRSS2 P07478 2/20 0.44
PRSS3 P35030 2/20 0.44
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALOX15 P16050 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
IKBKB O14920 1/20 0.35
GRM5 P41594 2/20 0.35
CHRNA4 P43681 1/20 0.34
HCAR2 Q8TDS4 2/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL8278416 0.82 PRSS1 (0.45) PRSS1PRSS2PRSS3ALDH1A1KDM4E
SCHEMBL970914 0.81 ALDH1A1 (0.66) PRSS1PRSS2PRSS3ALDH1A1KDM4E
SCHEMBL6810736 0.78 ALDH1A1 (0.48) PRSS1PRSS2PRSS3ALDH1A1KDM4E
SCHEMBL3323814 0.78 KDM4E (0.65) PRSS1PRSS2PRSS3ALDH1A1KDM4E
SCHEMBL2109413 0.76 GRM5 (0.39) PRSS1PRSS2PRSS3ALDH1A1KDM4E
SCHEMBL2109417 0.72 ALDH1A1 (0.37) PRSS1PRSS2PRSS3ALDH1A1KDM4E
SCHEMBL2637393 0.71 ALDH1A1 (0.50) PRSS1PRSS2PRSS3ALDH1A1KDM4E
SCHEMBL9967683 0.70 GRM5 (0.39) PRSS1PRSS2PRSS3PTGDR2GRM5
SCHEMBL29251289 0.70 GRM5 (0.52) ALDH1A1KDM4EPTGDR2IKBKBGRM5
SCHEMBL2915232 0.69 CHRNA4 (0.47) ALDH1A1KDM4ELMNAL3MBTL1CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110015400-A1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-01-20 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
WO-2005095385-A1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2005-10-13 WO 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

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-20110015400-A1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS CMA1, TPSAB1, TPSB2 PRSS1 20/4885PRSS2 28/4885PRSS3 30/4885
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 PRSS1 30/4885PRSS2 90/4885PRSS3 75/4885
US-20070197597-A1 Process for the preparation of tryptase inhibitors CMA1, TPSAB1, TPSB2 PRSS1 20/4885PRSS2 28/4885PRSS3 30/4885

“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.