SCHEMBL2632746

SCHEMBL2632746

O=C(C1COc2ccccc2C1)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 5/20 0.43
LMNA P02545 1/20 0.42
IDH1 O75874 1/20 0.42
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDE2A O00408 4/20 0.40
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
LSS P48449 1/20 0.39
MMP2 P08253 3/20 0.39
MMP13 P45452 3/20 0.39
NAMPT P43490 1/20 0.39
POLB P06746 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL2632880 0.85 POLB (0.57) LMNAGAASMN1; SMN2POLBTP53
SCHEMBL14685806 0.84 IDH1 (0.42) CHRM1LMNAIDH1GAASMN1; SMN2
SCHEMBL2626448 0.82 NAMPT (0.41) CHRM1LMNAGAASMN1; SMN2SCN5A
SCHEMBL2626523 0.79 NAMPT (0.44) LMNAGAASMN1; SMN2NAMPTMAPT
SCHEMBL2625825 0.78 NAMPT (0.42) LMNAGAASMN1; SMN2NAMPTPOLB
SCHEMBL2632942 0.78 ADRB1 (0.45) IDH1SCN9AMMP2MMP13
SCHEMBL2626155 0.77 SIGMAR1 (0.57) LMNAMAPT
SCHEMBL10310750 0.77 SIGMAR1 (0.57) LMNAMAPT
SCHEMBL12708001 0.77 SIGMAR1 (0.57) LMNAMAPT
SCHEMBL2626464 0.76 KMT2A (0.40) CHRM1LMNAGAASCN5ASCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-07 US disclosed
US-8309587-B2 Piperidine and piperazine phenyl sulphonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-13 US disclosed
US-20120178713-A1 PHENYL SULPHONAMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-12 US disclosed
US-8163720-B2 Pyrrolidinyl phenyl sulphonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-24 US disclosed
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-07 US disclosed
US-7799822-B2 Phenyl sulfonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-21 US disclosed
US-7799822-B2 Phenyl sulfonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-21 US disclosed
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2008-01-31 US disclosed
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2008-01-31 US 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 (4 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-20120178713-A1 PHENYL SULPHONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, TRPA1, TRPV5 CHRM1 2843/4885LMNA 4119/4885IDH1 1415/4885
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels TRPV1, KCNJ2, KCNN3 CHRM1 876/4885LMNA 2366/4885IDH1 395/4885
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, TRPA1 CHRM1 3255/4885LMNA 3348/4885IDH1 1086/4885
US-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels TRPV1, TRPV5, TRPA1 CHRM1 3440/4885LMNA 4008/4885IDH1 1558/4885

“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.