SCHEMBL3032201

SCHEMBL3032201

CC(C)(C1CCN(c2ccc(C(F)(F)F)cn2)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.54
CYP3A4 P08684 4/20 0.52
CACNA1B Q00975 2/20 0.52
NR1I2 O75469 1/20 0.52
KDM4E B2RXH2 3/20 0.50
ABL1 P00519 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.48
CA12 O43570 4/20 0.48
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
CA4 P22748 4/20 0.48
CA7 P43166 4/20 0.48
CA9 Q16790 4/20 0.48
TRPV1 Q8NER1 2/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL8048435 0.92 CYP3A4 (0.50) GPR119CYP3A4CACNA1BNR1I2KDM4E
SCHEMBL3035026 0.88 GPR119 (0.49) GPR119CYP3A4CACNA1BNR1I2KDM4E
SCHEMBL2189730 0.85 CYP3A4 (0.46) GPR119CYP3A4CACNA1BNR1I2KDM4E
SCHEMBL7920460 0.85 CYP3A4 (0.46) GPR119CYP3A4CACNA1BNR1I2KDM4E
SCHEMBL2196073 0.85 CYP3A4 (0.46) GPR119CYP3A4CACNA1BNR1I2KDM4E
SCHEMBL3042305 0.84 CYP3A4 (0.49) CYP3A4CACNA1BNR1I2KDM4ELMNA
SCHEMBL3035563 0.82 CACNA1B (0.64) CYP3A4CACNA1BNR1I2
SCHEMBL8050148 0.82 CYP2C9 (0.60) CYP3A4CACNA1BNR1I2KDM4ELMNA
SCHEMBL3039195 0.82 CACNA1B (0.49) CYP3A4CACNA1BNR1I2KDM4ELMNA
SCHEMBL7930230 0.81 CNR1 (0.42) GPR119CYP3A4CACNA1BNR1I2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2205083-B1 Substituted aryl sulfone derivatives as calcium channel blockers MERCK SHARP & DOHME (US) 2013-07-17 EP claimed
US-20100210620-A1 Substituted Aryl Sulfone Derivatives as Calcium Channel Blockers SCHERING CORPORATION 2010-08-19 US claimed
EP-2205083-B1 Substituted aryl sulfone derivatives as calcium channel blockers MERCK SHARP & DOHME (US) 2013-07-17 EP disclosed
US-20130040932-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2013-02-14 US disclosed
US-20130040932-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2013-02-14 US disclosed
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-8304434-B2 Substituted aryl sulfone derivatives as calcium channel blockers MERCK SHARP & DOHME CORP. (US) 2012-11-06 US disclosed
US-8304434-B2 Substituted aryl sulfone derivatives as calcium channel blockers MERCK SHARP & DOHME CORP. (US) 2012-11-06 US disclosed
US-20100210620-A1 Substituted Aryl Sulfone Derivatives as Calcium Channel Blockers SCHERING CORPORATION 2010-08-19 US disclosed
US-20100210620-A1 Substituted Aryl Sulfone Derivatives as Calcium Channel Blockers SCHERING CORPORATION 2010-08-19 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 (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-20100210620-A1 Substituted Aryl Sulfone Derivatives as Calcium Channel Blockers TRPV1, TRPA1, CACNA1D GPR119 136/4885CYP3A4 939/4885CACNA1B 23/4885
US-20130040932-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS TRPV1, TRPA1, CACNA1D GPR119 136/4885CYP3A4 939/4885CACNA1B 23/4885

“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.