SCHEMBL476665

SCHEMBL476665

Cc1c(C(=O)CC(C)(C)C)c2cccc(Cl)c2n1CCC[S+](C)[O-]

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.39
CNR1 P21554 2/20 0.36
AKR1B1 P15121 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
CXCR3 P49682 2/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
NPC1 O15118 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32

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
SCHEMBL476695 0.82 CNR2 (0.40) CNR2CNR1AKR1B1PTGDR2CXCR3
SCHEMBL476601 0.80 CNR2 (0.38) CNR2CNR1AKR1B1PTGDR2MEN1
SCHEMBL3297989 0.75 CNR2 (0.35) CNR2CNR1MEN1KMT2AHDAC3
SCHEMBL476620 0.68 CNR2 (0.35) CNR2
SCHEMBL476652 0.67 CNR2 (0.38) CNR2CNR1HDAC4HDAC10HDAC6
SCHEMBL476657 0.65 CNR2 (0.48) CNR2CNR1CXCR3
SCHEMBL476592 0.65 CNR2 (0.56) CNR2CNR1
SCHEMBL5660343 0.65 MEN1 (0.42) CNR2CNR1AKR1B1PTGDR2MEN1
Methane SCHEMBL5660353 0.65 MEN1 (0.42) CNR2CNR1AKR1B1PTGDR2MEN1
SCHEMBL5672235 0.64 CNR2 (0.48) CNR2CNR1MEN1KMT2A

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 3 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 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 31/4885CNR1 14/4885AKR1B1 62/4885

“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.