SCHEMBL4500514

SCHEMBL4500514

CS(=O)(=O)OCC1COc2cc(N)ccc2O1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.43
CA1 P00915 1/20 0.43
CHRNB4 P30926 4/20 0.41
CHRNA3 P32297 4/20 0.41
FFAR1 O14842 2/20 0.37
RECQL P46063 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
TSHR P16473 1/20 0.36
HTR6 P50406 1/20 0.36
ALOX5 P09917 1/20 0.36

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
SCHEMBL5937074 0.82 CHRNB4 (0.46) CA2CA1CHRNB4CHRNA3FFAR1
SCHEMBL1545420 0.82 CA2 (0.55) CA2RECQLTSHR
SCHEMBL7982000 0.82 CA2 (0.55) CA2RECQLTSHR
SCHEMBL2544576 0.82 CA2 (0.55) CA2RECQLTSHR
SCHEMBL1545676 0.81 ALDH1A1 (0.45) CA2CA1RECQLTSHR
SCHEMBL3149144 0.79 HTR6 (0.61) CA2FFAR1RECQLTSHRHTR6
SCHEMBL3149024 0.79 HTR6 (0.61) CA2FFAR1RECQLTSHRHTR6
SCHEMBL567448 0.79 CA2 (0.52) CA2FFAR1HTR6ALOX5
SCHEMBL9375647 0.79 CA2 (0.58) CA2CA1FFAR1
SCHEMBL9446251 0.78 CA2 (0.51) CA2RECQLTSHR

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
US-7576099-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2009-08-18 US disclosed
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. 2008-12-04 US disclosed
EP-1853269-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2007-11-14 EP disclosed
WO-2006093832-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2006-09-08 WO disclosed
US-20060194801-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same EVOTEC AG (DE) 2006-08-31 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 (2 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-20060194801-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 CA2 277/4885CA1 876/4885CHRNB4 588/4885
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 CA2 277/4885CA1 876/4885CHRNB4 588/4885

“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.