SCHEMBL14701435

SCHEMBL14701435

CC(C)(C)OC(=O)N1CC(C(C)(C)[SH](=O)=O)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.49
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
HPGD P15428 1/20 0.41
RECQL P46063 1/20 0.39
EPHX1 P07099 1/20 0.39
PDE4B Q07343 1/20 0.39
NAMPT P43490 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
RORC P51449 1/20 0.37
EPHX2 P34913 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL572706 0.83 NR1H2 (0.53) NR1H2USP2SMN1; SMN2DDB1CRBN
SCHEMBL8395258 0.81 NR1H2 (0.54) NR1H2USP2SMN1; SMN2DDB1CRBN
SCHEMBL3570460 0.78 NR1H2 (0.51) NR1H2USP2SMN1; SMN2DDB1CRBN
SCHEMBL30875141 0.78 NR1H2 (0.51) NR1H2USP2SMN1; SMN2DDB1CRBN
SCHEMBL15360241 0.78 NR1H2 (0.51) NR1H2USP2SMN1; SMN2DDB1CRBN
SCHEMBL15764147 0.77 NR1H2 (0.58) NR1H2USP2SMN1; SMN2DDB1CRBN
SCHEMBL13801217 0.77 NR1H2 (0.58) NR1H2USP2SMN1; SMN2DDB1CRBN
SCHEMBL15764146 0.77 NR1H2 (0.58) NR1H2USP2SMN1; SMN2DDB1CRBN
SCHEMBL16759817 0.77 NR1H2 (0.58) NR1H2USP2SMN1; SMN2DDB1CRBN
SCHEMBL12035619 0.77 NR1H2 (0.58) NR1H2USP2SMN1; SMN2DDB1CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130040932-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2013-02-14 US disclosed
US-8304434-B2 Substituted aryl sulfone derivatives as calcium channel blockers MERCK SHARP & DOHME CORP. (US) 2012-11-06 US disclosed
US-20110172236-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CHAKRAVARTY PRASUN K 2011-07-14 US disclosed
US-20100210620-A1 Substituted Aryl Sulfone Derivatives as Calcium Channel Blockers SCHERING CORPORATION 2010-08-19 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 (3 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-20100210620-A1 Substituted Aryl Sulfone Derivatives as Calcium Channel Blockers TRPV1, TRPA1, CACNA1D NR1H2 744/4885USP2 3409/4885SMN1; SMN2 365/4885
US-20110172236-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS TRPV1, TRPA1, CACNA1D NR1H2 744/4885USP2 3409/4885SMN1; SMN2 365/4885
US-20130040932-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS TRPV1, TRPA1, CACNA1D NR1H2 744/4885USP2 3409/4885SMN1; SMN2 365/4885

“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.