SCHEMBL3013574

SCHEMBL3013574

CS(=O)(=O)c1cccc([C]2CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
KCNH2 Q12809 5/20 0.43
NPY5R Q15761 1/20 0.43
BRD4 O60885 1/20 0.42
CREBBP Q92793 1/20 0.42
JAK2 O60674 1/20 0.41
PTGS1 P23219 2/20 0.41
NR1H2 P55055 3/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
NR1H3 Q13133 2/20 0.40

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
SCHEMBL6243674 0.85 KCNH2 (0.50) PTGS2LOXL2KCNH2JAK2NR1H2
SCHEMBL2140712 0.79 PTGS2 (0.53) PTGS2LOXL2KCNH2NR1H2NR1H3
SCHEMBL10051059 0.78 CA1 (0.55) LOXL2
SCHEMBL17153735 0.76 PTGS2 (0.50) PTGS2LOXL2KCNH2NR1H2NR1H3
SCHEMBL14320520 0.74 CA12 (0.58) PTGS2LOXL2KCNH2JAK2
SCHEMBL3007986 0.74 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL8770103 0.73 KCNH2 (0.49) PTGS2LOXL2KCNH2NR1H2NR1H3
SCHEMBL145847 0.73 NR1H2 (0.45) LOXL2KCNH2JAK2NR1H2CTSS
SCHEMBL30690007 0.73 ALOX5 (0.53) LOXL2KCNH2NR1H2NR1H3
SCHEMBL5831675 0.73 PTGS2 (0.56) PTGS2NPY5RPTGS1NR1H2NR1H3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076324-B2 Di(hetero)arylcyclohexane derivatives, their preparation, their use and pharmaceutical compositions comprising them SANOFI-AVENTIS (FR) 2011-12-13 US disclosed
US-20100204206-A1 Di(hetero)arylcyclohexane derivatives, their preparation, their use and pharmaceutical compositions comprising them SANOFI-AVENTIS (FR) 2010-08-12 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-20100204206-A1 Di(hetero)arylcyclohexane derivatives, their preparation, their use and pharmaceutical compositions comprising them ATP2A1, ATP2A2, RYR2 PTGS2 455/4885LOXL2 3763/4885KCNH2 9/4885

“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.