SCHEMBL940445

SCHEMBL940445

C[Si](C)(C)c1ccc2cc(C(=O)O)n(Cc3ccccc3C(F)(F)F)c2c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.47
CCR2 P41597 6/20 0.44
KIF11 P52732 3/20 0.44
GPR35 Q9HC97 1/20 0.42
CCR9 P51686 5/20 0.42
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ABCB11 O95342 1/20 0.41

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
SCHEMBL940280 0.91 ECE1 (0.54) ECE1CCR2KIF11GPR35TDP1
SCHEMBL926236 0.86 NOD2 (0.48) ECE1KIF11TDP1KDM4EALDH1A1
SCHEMBL940444 0.79 CCR9 (0.61) CCR2GPR35CCR9
SCHEMBL17997461 0.78 ECE1 (0.51) ECE1
SCHEMBL925922 0.78 NOD2 (0.48) ECE1KIF11TDP1KDM4EALDH1A1
SCHEMBL14556303 0.77 CCR2 (0.46) CCR2GPR35CCR9KDM4EALDH1A1
SCHEMBL939880 0.76 CCR2 (0.56) CCR2GPR35CCR9
SCHEMBL3665463 0.75 CCR2 (0.52) CCR2GPR35CCR9
SCHEMBL940148 0.75 ECE1 (0.48) ECE1KDM4EALDH1A1GAANPSR1
SCHEMBL3655296 0.75 CCR9 (0.54) CCR2GPR35CCR9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2235015-B1 AZABICYCLIC CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2016-08-24 EP disclosed
EP-2235014-B1 BICYCLIC DERIVATIVES OF AZABICYCLIC CARBOXAMIDES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2013-10-09 EP disclosed
US-8399491-B2 Derivatives of indole-2-carboxamides and of azaindole-2-carboxamides substituted with a silanyl group, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-03-19 US disclosed
EP-2235003-B1 DERIVATIVES OF INDOLE 2-CARBOXAMIDES AND AZAINDOLE 2-CARBOXAMIDES SUBSTITUTED BY A SILANYLE GROUP, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2012-12-19 EP disclosed
US-20110009365-A1 DERIVATIVES OF INDOLE-2-CARBOXAMIDES AND OF AZAINDOLE-2-CARBOXAMIDES SUBSTITUTED WITH A SILANYL GROUP, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-01-13 US disclosed
EP-2235014-A2 BICYCLIC DERIVATIVES OF AZABICYCLIC CARBOXAMIDES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-10-06 EP disclosed
EP-2235003-A1 DERIVATIVES OF INDOLE 2-CARBOXAMIDES AND AZAINDOLE 2-CARBOXAMIDES SUBSTITUTED BY A SILANYLE GROUP, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-10-06 EP disclosed
WO-2009112677-A2 BICYCLIC DERIVATIVES OF AZABICYCLIC CARBOXAMIDES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-09-17 WO disclosed
WO-2009109710-A1 DERIVATIVES OF INDOLE 2-CARBOXAMIDES AND AZAINDOLE 2-CARBOXAMIDES SUBSTITUTED BY A SILANYLE GROUP, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-09-11 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 (1 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-20110009365-A1 DERIVATIVES OF INDOLE-2-CARBOXAMIDES AND OF AZAINDOLE-2-CARBOXAMIDES SUBSTITUTED WITH A SILANYL GROUP, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF IDO2, INMT, IDO1 ECE1 3191/4885CCR2 1212/4885KIF11 821/4885

“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.