SCHEMBL5019768

SCHEMBL5019768

CC(C)(CCNC(=O)C1(N)CCS(=O)(=O)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.40
▸ CYP2C19 P33261 3/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ MMP1 P03956 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ MMP8 P22894 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ POLB P06746 2/20 0.37
▸ RECQL P46063 2/20 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
SCHEMBL5019767 0.92 CA1 (0.42) CYP3A4CYP2C19KMT2ACYP2C9CYP2D6
SCHEMBL15645087 0.91 KMT2A (0.44) CYP3A4CYP2C19KMT2ACYP2C9CYP2D6
SCHEMBL15647201 0.90 CA1 (0.41) CYP3A4CYP2C19KMT2ACYP2C9CYP2D6
SCHEMBL15646234 0.87 MMP2 (0.42) CYP3A4CYP2C19KMT2ACYP2C9CYP2D6
SCHEMBL15647079 0.80 KMT2A (0.43) CYP3A4CYP2C19KMT2ACYP2C9CYP2D6
SCHEMBL15646599 0.80 NAMPT (0.52) CYP3A4CYP2C19KMT2ACYP2C9MEN1
SCHEMBL12689436 0.79 CYP3A4 (0.41) CYP3A4CYP2C19KMT2ACYP2C9CYP2D6
Hydrochloric Acid SCHEMBL4541555 0.79 KMT2A (0.42) CYP3A4CYP2C19KMT2ACYP2C9CYP2D6
SCHEMBL15646695 0.78 KMT2A (0.40) CYP3A4CYP2C19KMT2ACYP2C9CYP2D6
SCHEMBL1498553 0.78 CA1 (0.49) CYP3A4CYP2C19KMT2ACYP2C9CYP2D6

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-20140113898-A1 BISARYLSULFONE AND DIALKYLARYLSULFONE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (US) 2014-04-24 — — US disclosed
US-20140113898-A1 BISARYLSULFONE AND DIALKYLARYLSULFONE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (US) 2014-04-24 — — US disclosed
US-20140113898-A1 BISARYLSULFONE AND DIALKYLARYLSULFONE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (US) 2014-04-24 — — US disclosed
WO-2012061926-A1 BISARYLSULFONE AND DIALKYLARYLSULFONE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2012-05-18 — — WO 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-20140113898-A1 BISARYLSULFONE AND DIALKYLARYLSULFONE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CACNA1C, CACNA1S, KCNN4 CYP3A4 322/4885CYP2C19 357/4885KMT2A 4319/4885

“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.

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