SCHEMBL3484986

SCHEMBL3484986

COc1ccc(CNCC(=O)N2CCC(N(C3CC3)S(=O)(=O)c3ccccc3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
MAPT P10636 3/20 0.51
KDM4E B2RXH2 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 3/20 0.45
TSHR P16473 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
PKM P14618 2/20 0.43
CCR5 P51681 1/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
TAS2R14 Q9NYV8 1/20 0.43
OXTR P30559 1/20 0.43
AVPR1A P37288 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CXCR3 P49682 1/20 0.43

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
SCHEMBL3485591 0.91 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EL3MBTL1POLB
SCHEMBL3485881 0.88 CACNA1B (0.59)
SCHEMBL3484949 0.87 ALDH1A1 (0.43) ALDH1A1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL4270354 0.79 CACNA1B (0.51) ALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL4285152 0.78 SIGMAR1 (0.56) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL3485873 0.78 CACNA1B (0.47) ALDH1A1MAPTKDM4EL3MBTL1TSHR
SCHEMBL3485605 0.70 UBE2M (0.47) SMN1; SMN2KMT2ALMNANPSR1
SCHEMBL4285261 0.69 CACNA1B (0.46) ALDH1A1MAPTKDM4ESMN1; SMN2KMT2A
SCHEMBL13932861 0.69 CACNA1B (0.57) L3MBTL1SMN1; SMN2LMNA
SCHEMBL3486005 0.69 CACNA1B (0.46) ALDH1A1MAPTKDM4EL3MBTL1TSHR

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 2210/4885MAPT 4325/4885KDM4E 816/4885

“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.