SCHEMBL2632894

SCHEMBL2632894

O=C(C(O)c1ccc2c(c1)OCO2)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.45
TDP1 Q9NUW8 1/20 0.42
EGFR P00533 1/20 0.41
USP9X Q93008 3/20 0.41
SCN5A Q14524 3/20 0.40
SCN9A Q15858 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GFER P55789 2/20 0.39
KMT2A Q03164 2/20 0.39
OGA O60502 1/20 0.39
LMNA P02545 2/20 0.39
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 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
SCHEMBL2626539 0.86 LMNA (0.43) SCN5ASCN9ASMN1; SMN2GFERKMT2A
SCHEMBL2625952 0.85 SMN1; SMN2 (0.46) TDP1SMN1; SMN2KMT2ALMNAMAPT
SCHEMBL13147942 0.84 OGA (0.39) CHRM1TDP1SMN1; SMN2GFERKMT2A
SCHEMBL13828266 0.82 MAPT (0.45) SMN1; SMN2GFERKMT2ALMNAMAPT
SCHEMBL2626499 0.79 SMN1; SMN2 (0.41) TDP1SCN5ASCN9ASMN1; SMN2KMT2A
SCHEMBL2626479 0.79 SCN1A (0.49) TDP1SCN5ASCN9ASMN1; SMN2KMT2A
SCHEMBL2625857 0.78 CYP3A4 (0.48) CHRM1TDP1SCN5ASCN9AKMT2A
SCHEMBL10310681 0.78 CYP3A4 (0.48) CHRM1TDP1SCN5ASCN9AKMT2A
SCHEMBL2625962 0.77 MAPT (0.47) TDP1SCN5ASMN1; SMN2KMT2ALMNA
SCHEMBL12710346 0.77 MAPT (0.47) TDP1SCN5ASMN1; SMN2KMT2ALMNA

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 5 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 2843/4885TDP1 3333/4885EGFR 3981/4885
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, TRPA1 CHRM1 3255/4885TDP1 3758/4885EGFR 3328/4885
US-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels TRPV1, TRPV5, TRPA1 CHRM1 3440/4885TDP1 4150/4885EGFR 3895/4885

“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.