SCHEMBL3485591

SCHEMBL3485591

COc1ccc(CNCC(=O)N2CCC(N(C3CC3)S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
KMT2A Q03164 3/20 0.51
GAA P10253 2/20 0.51
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
POLB P06746 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TSHR P16473 1/20 0.46
PKM P14618 1/20 0.45
CA2 P00918 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
CA9 Q16790 1/20 0.43
CACNA1G O43497 1/20 0.43
LMNA P02545 3/20 0.43
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL3484986 0.91 ALDH1A1 (0.51) ALDH1A1KMT2AKDM4EMAPTPOLB
SCHEMBL3486069 0.84 MEN1 (0.51) ALDH1A1KMT2AKDM4ETSHRCA2
SCHEMBL3485881 0.83 CACNA1B (0.59)
SCHEMBL3484949 0.78 ALDH1A1 (0.43) ALDH1A1KMT2ASMN1; SMN2TSHRLMNA
SCHEMBL4270354 0.74 CACNA1B (0.51) ALDH1A1GAAKDM4EMAPTL3MBTL1
SCHEMBL3485873 0.73 CACNA1B (0.47) ALDH1A1GAAKDM4EMAPTTSHR
SCHEMBL4285152 0.71 SIGMAR1 (0.56) ALDH1A1KMT2AKDM4EMMP9LMNA
SCHEMBL8018876 0.67 BMP1 (0.51) ALDH1A1KMT2AGAA
SCHEMBL11328674 0.67 AKR1C3 (0.55) ALDH1A1KMT2AGAAKDM4EMAPT
SCHEMBL2295624 0.67 NPC1 (0.56) ALDH1A1KMT2AGAAKDM4EMAPT

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 11 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 claimed
US-20100022595-A1 Benzenesulfonamide Compounds and Their Use as Blockers of Calcium Channels PURDUE PHARMA L.P. (CT) 2010-01-28 US claimed
WO-2007118853-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS BLOCKERS OF CALCIUM CHANNELS EURO-CELTIQUE S.A. (LU) 2007-10-25 WO claimed
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 ALDH1A1 2210/4885KMT2A 2462/4885GAA 1863/4885

“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.