SCHEMBL3486045

SCHEMBL3486045

Cc1cccc(S(=O)(=O)N(C2CCNCC2)C2CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.51
HTR2A P28223 1/20 0.51
HTR6 P50406 5/20 0.48
SLC6A2 P23975 5/20 0.43
SLC6A4 P31645 5/20 0.43
SLC6A3 Q01959 3/20 0.43
KCNH2 Q12809 1/20 0.42
DRD2 P14416 1/20 0.40
HTR1D P28221 1/20 0.40
HTR7 P34969 1/20 0.40
DRD3 P35462 1/20 0.40
CACNA1B Q00975 2/20 0.39
KMT2A Q03164 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.39

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
SCHEMBL13541691 0.83 HTR2C (0.49) HTR2CHTR2AHTR6SLC6A2SLC6A4
SCHEMBL3485485 0.83 HTR2C (0.50) HTR2CHTR2AHTR6SLC6A2SLC6A4
SCHEMBL3485433 0.83 HTR2C (0.50) HTR2CHTR2AHTR6SLC6A2SLC6A4
SCHEMBL532533 0.82 KDM4E (0.46) HTR2CHTR2AHTR6SLC6A2SLC6A4
SCHEMBL3485825 0.81 CACNA1B (0.55) HTR2CCACNA1B
SCHEMBL17277464 0.80 SLC6A2 (0.48) HTR2CHTR2AHTR6SLC6A2SLC6A4
SCHEMBL4278784 0.77 CACNA1B (0.45) HTR6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL21623806 0.76 HTR6 (0.52) HTR2CHTR2AHTR6SLC6A2SLC6A4
SCHEMBL17277329 0.76 SLC6A2 (0.49) HTR2CHTR2AHTR6SLC6A2SLC6A4
SCHEMBL17277493 0.76 SLC6A2 (0.49) HTR2CHTR2AHTR6SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791264-B2 Benzenesulfonamide compounds and their use as blockers of calcium channels PURDUE PHARMA L.P. (US) 2014-07-29 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
US-8791264-B2 Benzenesulfonamide compounds and their use as blockers of calcium channels PURDUE PHARMA L.P. (US) 2014-07-29 US 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-20100022595-A1 Benzenesulfonamide Compounds and Their Use as Blockers of Calcium Channels PURDUE PHARMA L.P. (CT) 2010-01-28 US disclosed
US-20100022595-A1 Benzenesulfonamide Compounds and Their Use as Blockers of Calcium Channels PURDUE PHARMA L.P. (CT) 2010-01-28 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
WO-2007118853-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS BLOCKERS OF CALCIUM CHANNELS EURO-CELTIQUE S.A. (LU) 2007-10-25 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-20100022595-A1 Benzenesulfonamide Compounds and Their Use as Blockers of Calcium Channels CACNA1A, CACNA1E, CACNA1B HTR2C 431/4885HTR2A 499/4885HTR6 391/4885

“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.