SCHEMBL12438258

SCHEMBL12438258

Cc1cccc(Cc2ccc(C#C[Si](C)(C)C)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.45
FFAR1 O14842 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
IDO1 P14902 2/20 0.38
SLC5A2 P31639 1/20 0.37
SAE1 Q9UBE0 1/20 0.37
UBA2 Q9UBT2 1/20 0.37
DAO P14920 1/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ACACB O00763 1/20 0.37
TP53 P04637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL10535280 0.83 HRH3 (0.37) FFAR1SAE1UBA2KMT2ATSHR
SCHEMBL8093804 0.79 TAAR1 (0.56) LTA4HTAAR1IDO1SLC5A2SAE1
SCHEMBL8850812 0.79 HRH3 (0.47) GRM5
SCHEMBL20257530 0.77 LOXL2 (0.48) LTA4HTAAR1IDO1SAE1UBA2
SCHEMBL31349195 0.76 GRM5 (0.56) FFAR1SMN1; SMN2GRM5
SCHEMBL3347354 0.76 GRM5 (0.56) FFAR1SMN1; SMN2GRM5
SCHEMBL11087087 0.75 LTA4H (0.53) LTA4HTAAR1IDO1SLC5A2SAE1
SCHEMBL8085716 0.75 CALM1 (0.55) LTA4HTAAR1IDO1SAE1UBA2
SCHEMBL29459538 0.75 TAAR1 (0.60) LTA4HTAAR1IDO1SLC5A2DAO
SCHEMBL30000562 0.75 TAAR1 (0.60) LTA4HTAAR1IDO1SLC5A2DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140046046-A1 GLUCOPYRANOSYL-SUBSTITUTED PHENYL DERIVATES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-13 US disclosed
US-20120296080-A1 GLUCOPYRANOSYL-SUBSTITUTED PHENYL DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-22 US disclosed
US-20110178033-A1 GLUCOPYRANOSYL-SUBSTITUTED PHENYL DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-21 US disclosed
US-20090326215-A1 GLUCOPYRANOSYL-SUBSTITUTED PHENYL DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-31 US disclosed
US-7579449-B2 Glucopyranosyl-substituted phenyl derivatives, medicaments containing such compounds, their use and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-25 US disclosed
US-20090023913-A1 GLUCOPYRANOSYL-SUBSTITUTED PHENYL DERIVATES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-22 US 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 (5 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-20090023913-A1 GLUCOPYRANOSYL-SUBSTITUTED PHENYL DERIVATES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE UGGT1, G6PD, SLC5A1 LTA4H 2901/4885FFAR1 674/4885TAAR1 2600/4885
US-20110178033-A1 GLUCOPYRANOSYL-SUBSTITUTED PHENYL DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE UGGT1, G6PD, G6PC1 LTA4H 2651/4885FFAR1 1070/4885TAAR1 3037/4885
US-20120296080-A1 GLUCOPYRANOSYL-SUBSTITUTED PHENYL DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE UGGT1, G6PD, G6PC1 LTA4H 2651/4885FFAR1 1070/4885TAAR1 3037/4885
US-20140046046-A1 GLUCOPYRANOSYL-SUBSTITUTED PHENYL DERIVATES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE UGGT1, G6PD, SLC5A1 LTA4H 2901/4885FFAR1 674/4885TAAR1 2600/4885
US-20090326215-A1 GLUCOPYRANOSYL-SUBSTITUTED PHENYL DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE UGGT1, G6PD, G6PC1 LTA4H 2651/4885FFAR1 1070/4885TAAR1 3037/4885

“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.