SCHEMBL2632880

SCHEMBL2632880

O=C(C1COc2ccccc2O1)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 6/20 0.57
GAA P10253 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
KMT2A Q03164 5/20 0.50
NPC1 O15118 1/20 0.50
TDP1 Q9NUW8 2/20 0.49
DNMT1 P26358 1/20 0.49
CASP6 P55212 1/20 0.49
MCL1 Q07820 1/20 0.49
CASP8 Q14790 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPK1 P28482 3/20 0.48
ALDH1A1 P00352 5/20 0.47
HPGD P15428 3/20 0.47
CYP3A4 P08684 3/20 0.47
CYP2C19 P33261 2/20 0.47
ALOX12 P18054 1/20 0.47
TP53 P04637 2/20 0.45
HSD17B10 Q99714 2/20 0.45
KDM4E B2RXH2 2/20 0.45

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
SCHEMBL2632746 0.85 CHRM1 (0.43) POLBGAASMN1; SMN2TP53LMNA
SCHEMBL10310750 0.78 SIGMAR1 (0.57) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL12708001 0.78 SIGMAR1 (0.57) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL2626155 0.78 SIGMAR1 (0.57) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL2626448 0.78 NAMPT (0.41) GAASMN1; SMN2KMT2ATDP1L3MBTL1
SCHEMBL2626464 0.76 KMT2A (0.40) GAAKMT2ATDP1L3MBTL1ALDH1A1
SCHEMBL14683485 0.75 KMT2A (0.53) POLBGAASMN1; SMN2KMT2AL3MBTL1
SCHEMBL2626523 0.75 NAMPT (0.44) GAASMN1; SMN2KMT2AMAPK1KDM4E
SCHEMBL13828266 0.75 MAPT (0.45) GAASMN1; SMN2KMT2AMAPK1ALDH1A1
SCHEMBL14683317 0.75 POLB (0.59) POLBGAASMN1; SMN2KMT2AL3MBTL1

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 POLB 4678/4885GAA 1787/4885SMN1; SMN2 398/4885
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels TRPV1, KCNJ2, KCNN3 POLB 4616/4885GAA 1640/4885SMN1; SMN2 1123/4885
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, TRPA1 POLB 4748/4885GAA 1522/4885SMN1; SMN2 600/4885
US-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels TRPV1, TRPV5, TRPA1 POLB 4398/4885GAA 2572/4885SMN1; SMN2 572/4885

“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.