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SCHEMBL3035443

SCHEMBL3035443

CC(C)(C1CCN(C2=[N+]c3ccccc3N2OC(=O)C(F)(F)F)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 6/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ NR1I2 O75469 2/20 0.47
▸ DRD2 P14416 1/20 0.39
▸ ADRA1D P25100 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ ADRA1B P35368 1/20 0.39
▸ GAA P10253 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ HTR6 P50406 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ HTT P42858 1/20 0.35

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
SCHEMBL3035214 0.74 CACNA1B (0.47) CACNA1BCYP3A4NR1I2DRD2ADRA1D
SCHEMBL15103465 0.73 CACNA1B (0.48) CACNA1BCYP3A4NR1I2DRD2ADRA1D
SCHEMBL8039809 0.73 CACNA1B (0.66) CACNA1BCYP3A4NR1I2POLBCNR1
SCHEMBL3032020 0.73 CYP3A4 (0.46) CACNA1BCYP3A4NR1I2DRD2ADRA1D
SCHEMBL3036305 0.73 CACNA1B (0.46) CACNA1BCYP3A4NR1I2DRD2ADRA1D
SCHEMBL3036041 0.72 CACNA1B (0.54) CACNA1BCYP3A4NR1I2POLBCNR1
SCHEMBL3032284 0.72 CACNA1B (0.55) CACNA1BCYP3A4NR1I2LMNAPOLB
SCHEMBL3035822 0.72 CACNA1B (0.55) CACNA1BCYP3A4NR1I2LMNAPOLB
SCHEMBL15103434 0.72 CACNA1B (0.67) CACNA1BCYP3A4NR1I2LMNAPOLB
Trifluoroacetic Acid SCHEMBL3034909 0.72 KMT2A (0.55) CACNA1BCYP3A4NR1I2LMNAKDM4E

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 6 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-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Merck Sharp & Dohme Corp. (US) 2010-07-14 — — EP claimed
WO-2009045382-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2009-04-09 — — WO claimed
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

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-20100210620-A1 Substituted Aryl Sulfone Derivatives as Calcium Channel Blockers TRPV1, TRPA1, CACNA1D CACNA1B 23/4885CYP3A4 939/4885NR1I2 765/4885

“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.