SCHEMBL3373909

SCHEMBL3373909

[CH]c1ccc(S(=O)(=O)N2CCCC2)cc1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.76
POLB P06746 2/20 0.63
ALDH1A1 P00352 4/20 0.61
GAA P10253 2/20 0.61
PKM P14618 2/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
TSHR P16473 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
HTT P42858 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
NPC1 O15118 1/20 0.58
MAPT P10636 1/20 0.58
RAB9A P51151 1/20 0.58
LMNA P02545 1/20 0.58

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
SCHEMBL3342226 0.82 POLB (0.73) USP2POLBALDH1A1GAAMEN1
SCHEMBL2112295 0.79 USP2 (0.76) USP2POLBALDH1A1GAAPKM
SCHEMBL6748039 0.79 USP2 (0.76) USP2POLBALDH1A1GAAPKM
SCHEMBL1046239 0.79 USP2 (0.76) USP2POLBALDH1A1GAAPKM
SCHEMBL1268829 0.79 USP2 (0.76) USP2POLBALDH1A1GAAPKM
SCHEMBL1948477 0.79 USP2 (0.76) USP2POLBALDH1A1GAAPKM
SCHEMBL2705461 0.79 L3MBTL1 (0.83) USP2POLBALDH1A1GAAMEN1
SCHEMBL2706987 0.79 USP2 (0.76) USP2POLBALDH1A1GAAPKM
SCHEMBL436674 0.79 PKM (0.89) USP2POLBALDH1A1GAAPKM
SCHEMBL3236916 0.79 MAPT (0.80) USP2POLBALDH1A1GAAPKM

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 USP2 3178/4885POLB 4039/4885ALDH1A1 851/4885

“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.