SCHEMBL476689

SCHEMBL476689

Cc1ccc2c(C(=O)Cc3ccccc3C(F)(F)F)c(C)n(CCCNS(C)(=O)=O)c2c1Br

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.39
TRPV4 Q9HBA0 1/20 0.39
PLK1 P53350 1/20 0.34
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 3/20 0.33
LIPG Q9Y5X9 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
POLQ O75417 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
SCHEMBL476585 0.89 CNR2 (0.46) CNR2TRPV4PLK1TDP1LIPG
SCHEMBL476644 0.87 CNR2 (0.49) CNR2TP53TDP1ALDH1A1
SCHEMBL476632 0.86 CNR2 (0.46) CNR2TRPV4PLK1TDP1LIPG
SCHEMBL476597 0.85 CNR2 (0.46) CNR2TRPV4
SCHEMBL476653 0.84 CNR2 (0.47) CNR2TRPV4TP53KDM4E
SCHEMBL476630 0.81 TRPV4 (0.34) CNR2TRPV4PLK1TDP1ALDH1A1
SCHEMBL476631 0.79 CNR2 (0.52) CNR2TRPV4TDP1
SCHEMBL476673 0.79 CNR2 (0.46) CNR2TRPV4PLK1LIPG
SCHEMBL476609 0.78 CNR2 (0.56) CNR2TRPV4TDP1
SCHEMBL476646 0.77 CNR2 (0.52) CNR2TRPV4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951225-B1 3-ACYLINDOLE DERIVATIVES THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI SA (FR) 2012-02-01 EP claimed
US-20080275102-A1 3-ACYLINDOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-11-06 US claimed
EP-1951225-A2 3-ACYLINDOLE DERIVATIVES THE PREPARATION AND THE THERAPEUTIC USE THEREOF sanofi-aventis (FR) 2008-08-06 EP claimed
WO-2007057571-A2 3-ACYLINDOLE DERIVATIVES THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-05-24 WO claimed
EP-1951225-B1 3-ACYLINDOLE DERIVATIVES THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI SA (FR) 2012-02-01 EP disclosed
US-7741363-B2 3-Acylindole derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-06-22 US disclosed
US-20080275102-A1 3-ACYLINDOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-11-06 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 (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-20080275102-A1 3-ACYLINDOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF F12, ECI1, NQO2 CNR2 31/4885TRPV4 4134/4885PLK1 2586/4885

“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.