SCHEMBL3486063

SCHEMBL3486063

O=S(=O)(NC1CCNCC1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT3 P56703 1/20 0.56
SFRP1 Q8N474 1/20 0.56
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
MMP1 P03956 1/20 0.55
MMP2 P08253 1/20 0.55
MMP9 P14780 1/20 0.55
MMP8 P22894 1/20 0.55
MMP13 P45452 1/20 0.55
HDAC8 Q9BY41 1/20 0.54
HTR2C P28335 2/20 0.50
HTR1A P08908 1/20 0.50
HTR7 P34969 1/20 0.50
TSHR P16473 2/20 0.49
DRD2 P14416 1/20 0.48
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
IDH2 P48735 2/20 0.47
HTR6 P50406 1/20 0.47

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
SCHEMBL2420848 0.90 CA1 (0.62) CA1CA2MMP1MMP2MMP9
SCHEMBL12061673 0.86 WNT3 (0.50) WNT3SFRP1HDAC8HTR1AHTR7
SCHEMBL31532373 0.86 CA1 (0.57) CA1CA2MMP1MMP2MMP9
SCHEMBL24529785 0.83 WNT3 (0.54) WNT3SFRP1HTR2CTSHRHTR6
SCHEMBL25302748 0.81 CA1 (0.51) CA1CA2MMP1MMP2MMP9
SCHEMBL12542703 0.80 HDAC8 (0.51) CA1CA2MMP1MMP2MMP9
SCHEMBL12542704 0.80 HDAC8 (0.51) CA1CA2MMP1MMP2MMP9
SCHEMBL12688785 0.80 HDAC8 (0.51) CA1CA2MMP1MMP2MMP9
SCHEMBL3045594 0.80 CYP3A4 (0.53) WNT3SFRP1CA1CA2MMP1
SCHEMBL24993889 0.79 CA1 (0.47) CA1CA2MMP1MMP2MMP9

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023062049-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-04-20 WO disclosed
US-9000174-B2 4-phenylsulfonamidopiperidines as calcium channel blockers PURDUE PHARMA L.P. (US) 2015-04-07 US disclosed
US-9000174-B2 4-phenylsulfonamidopiperidines as calcium channel blockers PURDUE PHARMA L.P. (US) 2015-04-07 US disclosed
US-9000174-B2 4-phenylsulfonamidopiperidines as calcium channel blockers PURDUE PHARMA L.P. (US) 2015-04-07 US disclosed
US-8791264-B2 Benzenesulfonamide compounds and their use as blockers of calcium channels PURDUE PHARMA L.P. (US) 2014-07-29 US disclosed
EP-1814851-B1 4-PHENYLSULFONAMIDOPIPERIDINES AS CALCIUM CHANNEL BLOCKERS EURO CELTIQUE SA (LU) 2013-06-05 EP disclosed
EP-1814851-B1 4-PHENYLSULFONAMIDOPIPERIDINES AS CALCIUM CHANNEL BLOCKERS EURO CELTIQUE SA (LU) 2013-06-05 EP disclosed
US-20100022595-A1 Benzenesulfonamide Compounds and Their Use as Blockers of Calcium Channels PURDUE PHARMA L.P. (CT) 2010-01-28 US disclosed
US-20090105249-A1 4-phenylsulfonamidopiperidines as calcium channel blockers EURO-CELTIQUE S.A. (LU) 2009-04-23 US disclosed
US-20090105249-A1 4-phenylsulfonamidopiperidines as calcium channel blockers EURO-CELTIQUE S.A. (LU) 2009-04-23 US disclosed
US-20090105249-A1 4-phenylsulfonamidopiperidines as calcium channel blockers EURO-CELTIQUE S.A. (LU) 2009-04-23 US disclosed
WO-2007118853-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS BLOCKERS OF CALCIUM CHANNELS EURO-CELTIQUE S.A. (LU) 2007-10-25 WO disclosed
EP-1814851-A2 4-PHENYLSULFONAMIDOPIPERIDINES AS CALCIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2007-08-08 EP disclosed
WO-2006040181-A2 4-PHENYLSULFONAMIDOPIPERIDINES AS CALCIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2006-04-20 WO disclosed
WO-2006040181-A2 4-PHENYLSULFONAMIDOPIPERIDINES AS CALCIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2006-04-20 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 (2 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-20100022595-A1 Benzenesulfonamide Compounds and Their Use as Blockers of Calcium Channels CACNA1A, CACNA1E, CACNA1B WNT3 2393/4885SFRP1 3977/4885CA1 573/4885
US-20090105249-A1 4-phenylsulfonamidopiperidines as calcium channel blockers CACNA1A, CACNA1E, CACNA1B WNT3 1873/4885SFRP1 2124/4885CA1 791/4885

“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.