SCHEMBL476662

SCHEMBL476662

CS(=O)(=O)NCCCn1cc(C(=O)Cc2ccccc2OC(F)(F)F)c2cccc([N+](=O)[O-])c21

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.40
CNR1 P21554 1/20 0.37
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
LMNA P02545 1/20 0.35
PRKCG P05129 1/20 0.34
PRKCB P05771 1/20 0.34
PRKCA P17252 1/20 0.34
GSK3B P49841 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.33
NTRK1 P04629 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
SCHEMBL476693 0.90 CNR2 (0.50) CNR2CNR1MAPTLMNAPRKCG
SCHEMBL476671 0.89 ALDH1A1 (0.42) CNR2CNR1POLBMAPTALDH1A1
SCHEMBL476622 0.88 MAPT (0.39) CNR2CNR1POLBMAPTALDH1A1
SCHEMBL476642 0.87 CNR2 (0.48) CNR2CNR1POLBMAPTALDH1A1
SCHEMBL476589 0.86 CNR2 (0.48) CNR2CNR1POLBMAPTALDH1A1
SCHEMBL476549 0.85 CNR2 (0.48) CNR2CNR1POLBMAPTALDH1A1
SCHEMBL476593 0.85 CNR2 (0.48) CNR2CNR1POLBMAPTALDH1A1
SCHEMBL476577 0.73 CNR2 (0.44) CNR2
SCHEMBL476576 0.72 CNR2 (0.44) CNR2
SCHEMBL4796223 0.71 CNR2 (0.38) CNR2TDP1

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 claimed
US-20080275102-A1 3-ACYLINDOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-11-06 US claimed
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 14/4885POLB 4291/4885

“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.