SCHEMBL476622

SCHEMBL476622

CS(=O)(=O)NCCCn1cc(C(=O)Cc2ccccc2C(F)(F)F)c2cccc([N+](=O)[O-])c21

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
CNR2 P34972 8/20 0.38
CNR1 P21554 1/20 0.38
GAA P10253 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TRPV4 Q9HBA0 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
P2RX7 Q99572 1/20 0.33
ATM Q13315 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL476671 0.91 ALDH1A1 (0.42) MAPTPOLBCNR2CNR1GAA
SCHEMBL476642 0.89 CNR2 (0.48) MAPTPOLBCNR2CNR1ALDH1A1
SCHEMBL476589 0.88 CNR2 (0.48) MAPTPOLBCNR2CNR1ALDH1A1
SCHEMBL476662 0.88 CNR2 (0.40) MAPTPOLBCNR2CNR1GAA
SCHEMBL476549 0.87 CNR2 (0.48) MAPTPOLBCNR2CNR1ALDH1A1
SCHEMBL476593 0.87 CNR2 (0.48) MAPTPOLBCNR2CNR1ALDH1A1
SCHEMBL476693 0.86 CNR2 (0.50) MAPTCNR2CNR1GAASMN1; SMN2
SCHEMBL476632 0.71 CNR2 (0.46) CNR2TRPV4
SCHEMBL476597 0.71 CNR2 (0.46) CNR2CNR1TRPV4P2RX7
SCHEMBL476585 0.71 CNR2 (0.46) CNR2CNR1TRPV4

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 5 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-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 MAPT 3394/4885POLB 4291/4885CNR2 31/4885

“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.