SCHEMBL12415664

SCHEMBL12415664

CC(C)(C1CC(=O)N(c2ncc(C(F)(F)F)cc2S(C)(=O)=O)C1)S(=O)(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 8/20 0.45
CYP3A4 P08684 2/20 0.45
NR1I2 O75469 2/20 0.45
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
NR1H2 P55055 4/20 0.38
NR1H3 Q13133 4/20 0.38
HSD11B1 P28845 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
PSEN1 P49768 3/20 0.35
PSEN2 P49810 3/20 0.35
APH1B Q8WW43 3/20 0.35
NCSTN Q92542 3/20 0.35
APH1A Q96BI3 3/20 0.35
PSENEN Q9NZ42 3/20 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
SCHEMBL2188764 1.00 CACNA1B (0.45) CACNA1BCYP3A4NR1I2USP2ALDH1A1
SCHEMBL2189941 1.00 CACNA1B (0.45) CACNA1BCYP3A4NR1I2USP2ALDH1A1
SCHEMBL2187165 0.91 CACNA1B (0.50) CACNA1BCYP3A4NR1I2USP2ALDH1A1
SCHEMBL2189829 0.91 CACNA1B (0.50) CACNA1BCYP3A4NR1I2USP2ALDH1A1
SCHEMBL2189815 0.90 CYP3A4 (0.42) CACNA1BCYP3A4NR1I2USP2ALDH1A1
SCHEMBL12415661 0.90 CYP3A4 (0.42) CACNA1BCYP3A4NR1I2USP2ALDH1A1
SCHEMBL2190998 0.90 CYP3A4 (0.42) CACNA1BCYP3A4NR1I2USP2ALDH1A1
SCHEMBL2190029 0.85 CACNA1B (0.46) CACNA1BCYP3A4NR1I2NR1H2NR1H3
SCHEMBL2190979 0.85 CACNA1B (0.46) CACNA1BCYP3A4NR1I2NR1H2NR1H3
SCHEMBL2189827 0.84 CACNA1B (0.50) CACNA1BCYP3A4NR1I2USP2ALDH1A1

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-20110172236-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CHAKRAVARTY PRASUN K 2011-07-14 US disclosed
US-20110172236-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CHAKRAVARTY PRASUN K 2011-07-14 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-20110172236-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.