SCHEMBL301744

SCHEMBL301744

Fc1ccccc1C#C[SiH2]

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.42
ACHE P22303 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
NFE2L2 Q16236 1/20 0.33
MME P08473 1/20 0.33
ECE1 P42892 1/20 0.33
IKBKB O14920 1/20 0.33
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
HCAR2 Q8TDS4 2/20 0.31
TRPV3 Q8NET8 1/20 0.31
HSD17B2 P37059 1/20 0.31

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
SCHEMBL29251289 0.84 GRM5 (0.52) GRM5ACHEPTGDR2NFE2L2MME
Fluoride SCHEMBL31286347 0.81 GRM5 (0.50) GRM5ACHEPTGDR2NFE2L2MME
Charcoal, Activated SCHEMBL31286314 0.81 GRM5 (0.50) GRM5ACHEPTGDR2NFE2L2MME
SCHEMBL16457122 0.77 GRM5 (0.43) GRM5ACHEPTGDR2NFE2L2MME
SCHEMBL849221 0.75 GRM5 (0.42) GRM5ACHEPTGDR2NFE2L2MME
SCHEMBL301745 0.75 GRM5 (0.42) GRM5ACHEPTGDR2NFE2L2MME
SCHEMBL8767077 0.75 GRM5 (0.46) GRM5ACHEPTGDR2NFE2L2MME
SCHEMBL8424794 0.73 APP (0.57) GRM5PTGDR2
SCHEMBL28722215 0.72 GRM5 (0.44) GRM5PTGDR2MMEECE1IKBKB
SCHEMBL30270412 0.71 CYP3A4 (0.59) GRM5PTGDR2IKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4851440-B2 2012-01-11 JP claimed
EP-1723140-B1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS AVENTIS PHARMA INC (US) 2009-11-04 EP claimed
US-20070197597-A1 Process for the preparation of tryptase inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-23 US claimed
EP-1723140-A1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS Aventis Pharmaceuticals Inc. (US) 2006-11-22 EP claimed
WO-2005095385-A1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2005-10-13 WO claimed
EP-1571150-A1 Process for the preparation of tryptase inhibitors Aventis Pharma Deutschland GmbH (DE) 2005-09-07 EP claimed
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
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

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-20130225825-A1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS CMA1, TPSAB1, TPSB2 GRM5 3305/4885ACHE 559/4885PTGDR2 2597/4885
US-20110015400-A1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS CMA1, TPSAB1, TPSB2 GRM5 3305/4885ACHE 559/4885PTGDR2 2597/4885
US-20070197597-A1 Process for the preparation of tryptase inhibitors CMA1, TPSAB1, TPSB2 GRM5 3305/4885ACHE 559/4885PTGDR2 2597/4885

“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.