SCHEMBL5520044

SCHEMBL5520044

COc1ccc(S(=O)(=O)c2c[nH]c3cc(OC)ccc23)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.69
SMN1; SMN2 Q16637 2/20 0.60
LMNA P02545 1/20 0.60
HTT P42858 1/20 0.60
TP53 P04637 2/20 0.55
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 1/20 0.52
PKM P14618 1/20 0.51
GAA P10253 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CDK4 P11802 1/20 0.49
CCND1 P24385 1/20 0.49
PRKAB2 O43741 1/20 0.47
PRKAG1 P54619 1/20 0.47
PRKAA2 P54646 1/20 0.47
PRKAA1 Q13131 1/20 0.47
PRKAG3 Q9UGI9 1/20 0.47
PRKAG2 Q9UGJ0 1/20 0.47
PRKAB1 Q9Y478 1/20 0.47
TUBB1 Q9H4B7 1/20 0.47

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
SCHEMBL6109703 0.93 MAPT (0.81) MAPTSMN1; SMN2LMNAHTTTP53
SCHEMBL28405115 0.85 MAPT (0.65) MAPTSMN1; SMN2LMNAHTTTP53
SCHEMBL3919214 0.85 TUBB1 (0.56) MAPTSMN1; SMN2LMNAHTTTP53
SCHEMBL20355378 0.82 MAPT (0.55) MAPTSMN1; SMN2LMNAHTTTP53
SCHEMBL5784803 0.80 MAPT (0.78) MAPTSMN1; SMN2LMNAHTTTP53
SCHEMBL28316621 0.74 PRKAB2 (0.51) MAPTKDM4EALDH1A1CDK4CCND1
SCHEMBL7083892 0.74 MAPT (0.67) MAPTSMN1; SMN2LMNAHTTTP53
SCHEMBL5971912 0.73 MAPT (0.66) MAPTSMN1; SMN2LMNAHTTTP53
SCHEMBL7089708 0.73 MAPT (0.63) MAPTSMN1; SMN2LMNAHTTTP53
SCHEMBL7090097 0.73 MAPT (0.66) MAPTSMN1; SMN2LMNAHTTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1833787-A2 INDOLE DERIVATIVES FOR USE AS PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2007-09-19 EP disclosed
US-20060135540-A1 PPAR active compounds PLEXXIKON, INC. 2006-06-22 US disclosed
WO-2006060535-A2 INDOLE DERIVATIVES FOR USE AS PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2006-06-08 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-20060135540-A1 PPAR active compounds PPARG, PPARA, PPARD MAPT 4530/4885SMN1; SMN2 4614/4885LMNA 1815/4885

“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.