SCHEMBL4537377

SCHEMBL4537377

NCc1ccc(S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 10/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
AKR1B1 P15121 1/20 0.48
MAOB P27338 1/20 0.48
HSP90AA1 P07900 1/20 0.47
CXCR5 P32302 1/20 0.47
APLNR P35414 1/20 0.47
CCR6 P51684 1/20 0.47
POLB P06746 1/20 0.47
HTR6 P50406 2/20 0.46
TAAR1 Q96RJ0 1/20 0.46

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
SCHEMBL4538358 0.91 HTR6 (0.50) NAMPTCA1CA2MMP1MMP2
SCHEMBL20758153 0.85 CA1 (0.57) NAMPTCA1CA2MMP1MMP2
SCHEMBL8863056 0.85 CA1 (0.65) CA1CA2MMP1MMP2MMP9
SCHEMBL30859041 0.85 CA1 (0.65) CA1CA2MMP1MMP2MMP9
SCHEMBL15689511 0.84 HTR6 (0.53) NAMPTCA1CA2MMP1MMP2
SCHEMBL7697167 0.83 CA1 (0.59) CA1CA2MMP1MMP2MMP9
Hydrochloric Acid SCHEMBL11261755 0.83 CA1 (0.62) CA1CA2MMP1MMP2MMP9
SCHEMBL15535303 0.82 CA1 (0.54) NAMPTCA1CA2MMP1MMP2
SCHEMBL10919387 0.81 HSD11B1 (0.54) NAMPTCA1CA2MMP1MMP2
SCHEMBL4542082 0.80 NAMPT (0.54) NAMPTCA1CA2MMP1MMP2

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 5 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
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 NAMPT 4652/4885CA1 1399/4885CA2 149/4885

“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.