SCHEMBL13281027

SCHEMBL13281027

O=C(c1ccccc1S(=O)(=O)C1CC1)C(O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.45
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
SRC P12931 2/20 0.37
NAAA Q02083 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 1/20 0.36
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HPGD P15428 1/20 0.35
CHRM2 P08172 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM3 P20309 1/20 0.35
BLM P54132 1/20 0.35

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
SCHEMBL277752 0.80 LMNA (0.52) LMNACES2CES1MAPK1ALDH1A1
SCHEMBL4421012 0.79 SMN1; SMN2 (0.54) ALDH1A1KDM4ENAAASMN1; SMN2TSHR
SCHEMBL13280385 0.79 ALDH1A1 (0.43) LMNACES2CES1MAPK1ALDH1A1
SCHEMBL251610 0.78 CA1 (0.51) LMNACES2CES1MAPK1ALDH1A1
SCHEMBL3631033 0.78 BCAT2 (0.51) LMNACES2CES1MAPK1ALDH1A1
SCHEMBL16339817 0.76 LMNA (0.47) LMNACES2CES1MAPK1ALDH1A1
SCHEMBL2593899 0.76 LMNA (0.47) LMNACES2CES1MAPK1ALDH1A1
SCHEMBL11896558 0.75 CYP1A2 (0.54) LMNACES2CES1MAPK1ALDH1A1
SCHEMBL366127 0.74 TSHR (0.42) ALDH1A1KDM4ENAAASMN1; SMN2TSHR
SCHEMBL17479614 0.74 SMN1; SMN2 (0.49) LMNAALDH1A1KDM4ESMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181273-B2 Morpholine-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-11-10 US disclosed
US-20150025073-A1 MORPHOLINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2015-01-22 US disclosed
US-8828996-B2 Morpholine-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-09 US disclosed
US-20120264749-A1 MORPHOLINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2012-10-18 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 (2 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-20150025073-A1 MORPHOLINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, TRPM5, KCNQ1 LMNA 2005/4885CES2 2630/4885CES1 4058/4885
US-20120264749-A1 MORPHOLINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, TRPM5, KCNQ1 LMNA 2005/4885CES2 2630/4885CES1 4058/4885

“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.