SCHEMBL909696

SCHEMBL909696

CS(=O)(=O)OC(COCc1ccccc1)COC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.38
CA2 P00918 3/20 0.36
CA7 P43166 3/20 0.36
CA9 Q16790 3/20 0.36
TSHR P16473 1/20 0.36
TACR1 P25103 2/20 0.35
SLC1A1 P43005 1/20 0.35
CA4 P22748 1/20 0.34
PPARA Q07869 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
MAPK1 P28482 1/20 0.33
CYP24A1 Q07973 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
KMT2A Q03164 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
SCHEMBL18186635 0.87 TSHR (0.47) CA1CA2CA7CA9TSHR
SCHEMBL9575877 0.83 LMNA (0.40) CA1CA2CA7CA9CA4
SCHEMBL9575873 0.83 LMNA (0.40) CA1CA2CA7CA9CA4
SCHEMBL8659900 0.82 CA1 (0.43) CA1CA2CA7CA9TSHR
SCHEMBL11033646 0.82 TSHR (0.41) CA1CA2CA7CA9TSHR
SCHEMBL10929242 0.81 PLA2G2A (0.45) TSHR
SCHEMBL25486668 0.80 TSHR (0.42) CA1CA2CA7CA9TSHR
SCHEMBL24337635 0.80 KIF11 (0.38) CA1CA2CA7CA9
SCHEMBL23556647 0.80 KIF11 (0.38) CA1CA2CA7CA9
SCHEMBL23540186 0.80 KIF11 (0.38) CA1CA2CA7CA9

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
US-8153651-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same EVOTEC AG (DE) 2012-04-10 US disclosed
EP-2215054-B1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS INC (US) 2011-08-31 EP disclosed
US-20110021514-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2011-01-27 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-20110021514-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 CA1 876/4885CA2 277/4885CA7 3057/4885

“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.