SCHEMBL3342226

SCHEMBL3342226

[CH]c1ccc(S(=O)(=O)N2CCOCC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.73
LMNA P02545 4/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
KMT2A Q03164 3/20 0.65
MEN1 O00255 2/20 0.65
GAA P10253 2/20 0.65
L3MBTL1 Q9Y468 2/20 0.59
MAPK1 P28482 1/20 0.59
ALDH1A1 P00352 2/20 0.58
KDM4E B2RXH2 2/20 0.58
HSD17B10 Q99714 2/20 0.58
TSHR P16473 2/20 0.58
USP2 O75604 1/20 0.58
HTT P42858 1/20 0.58
APOBEC3G Q9HC16 1/20 0.57

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
SCHEMBL12793245 0.90 POLB (0.88) POLBLMNASMN1; SMN2KMT2AMEN1
SCHEMBL12793258 0.85 POLB (1.00) POLBLMNASMN1; SMN2KMT2AMEN1
SCHEMBL8871272 0.83 POLB (0.76) POLBLMNASMN1; SMN2KMT2AMEN1
SCHEMBL28072234 0.83 POLB (0.76) POLBLMNASMN1; SMN2KMT2AMEN1
SCHEMBL12793270 0.83 POLB (0.96) POLBLMNASMN1; SMN2KMT2AMEN1
SCHEMBL12793250 0.83 POLB (0.96) POLBLMNASMN1; SMN2KMT2AMEN1
SCHEMBL3373909 0.82 USP2 (0.76) POLBLMNASMN1; SMN2KMT2AMEN1
SCHEMBL2769910 0.81 POLB (0.73) POLBLMNASMN1; SMN2KMT2AMEN1
SCHEMBL2923158 0.81 POLB (0.73) POLBLMNASMN1; SMN2KMT2AMEN1
SCHEMBL289534 0.81 LMNA (0.82) POLBLMNASMN1; SMN2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110312945-A1 CRTH2 MODULATORS IRONWOOD PHARMACEUTICALS, INC. 2011-12-22 US disclosed
WO-2010039982-A1 CRTH2 MODULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2010-04-08 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-20110312945-A1 CRTH2 MODULATORS HRH2, HRH1, NR1H2 POLB 4039/4885LMNA 4591/4885SMN1; SMN2 4245/4885

“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.