SCHEMBL940444

SCHEMBL940444

C[Si](C)(C)c1ccc2cc(C(=O)O)n(Cc3cccc(C(F)(F)F)c3)c2c1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 5/20 0.61
CCR2 P41597 4/20 0.59
PPARG P37231 10/20 0.54
GPR35 Q9HC97 1/20 0.46

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
SCHEMBL940279 0.91 CCR2 (0.59) CCR9CCR2PPARG
SCHEMBL926235 0.87 F10 (0.51) CCR9CCR2PPARG
SCHEMBL939880 0.87 CCR2 (0.56) CCR9CCR2GPR35
SCHEMBL3664981 0.85 CCR2 (0.63) CCR9CCR2PPARGGPR35
SCHEMBL3655296 0.85 CCR9 (0.54) CCR9CCR2GPR35
SCHEMBL4657609 0.84 CCR2 (0.71) CCR9CCR2PPARG
SCHEMBL1093875 0.81 CCR2 (0.69) CCR9CCR2PPARGGPR35
SCHEMBL6308312 0.80 CCR9 (0.55) CCR9CCR2PPARGGPR35
SCHEMBL3665463 0.79 CCR2 (0.52) CCR9CCR2GPR35
SCHEMBL940445 0.79 ECE1 (0.47) CCR9CCR2GPR35

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-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
EP-2235014-A2 BICYCLIC DERIVATIVES OF AZABICYCLIC CARBOXAMIDES, 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 CCR9 2789/4885CCR2 1212/4885PPARG 2215/4885

“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.