SCHEMBL2188500

SCHEMBL2188500

CC(C)(C1CCN(c2ncc(Cl)cn2)C(=O)C1)S(=O)(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.45
CYP3A4 P08684 2/20 0.45
NR1I2 O75469 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.38
PSEN1 P49768 2/20 0.37
PSEN2 P49810 2/20 0.37
APH1B Q8WW43 2/20 0.37
NCSTN Q92542 2/20 0.37
APH1A Q96BI3 2/20 0.37
PSENEN Q9NZ42 2/20 0.37
HTR6 P50406 2/20 0.37
HSD11B1 P28845 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CNR1 P21554 1/20 0.37
CTSS P25774 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.35
KCNN4 O15554 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
SCHEMBL2187285 0.93 CACNA1B (0.47) CACNA1BCYP3A4NR1I2L3MBTL1HTR6
SCHEMBL2190203 0.93 CACNA1B (0.47) CACNA1BCYP3A4NR1I2L3MBTL1HTR6
SCHEMBL2188679 0.88 CYP3A4 (0.42) CACNA1BCYP3A4NR1I2L3MBTL1HTR6
SCHEMBL2188161 0.88 CYP3A4 (0.42) CACNA1BCYP3A4NR1I2L3MBTL1HTR6
SCHEMBL2190814 0.85 ALDH1A1 (0.47) CACNA1BCYP3A4NR1I2L3MBTL1HSD11B1
SCHEMBL2187135 0.85 ALDH1A1 (0.47) CACNA1BCYP3A4NR1I2L3MBTL1HSD11B1
SCHEMBL1728002 0.84 CYP3A4 (0.45) CACNA1BCYP3A4NR1I2L3MBTL1HTR6
SCHEMBL2187708 0.84 CYP3A4 (0.45) CACNA1BCYP3A4NR1I2L3MBTL1HTR6
SCHEMBL2191992 0.84 CACNA1B (0.46) CACNA1BCYP3A4NR1I2L3MBTL1HTR6
SCHEMBL2190746 0.84 CYP3A4 (0.45) CACNA1BCYP3A4NR1I2L3MBTL1HTR6

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