SCHEMBL4617796

SCHEMBL4617796

Cc1nc(-c2ccc(S(=O)(=O)n3cc(CCC(=O)O)c4cc(-c5ccccc5)ccc43)s2)cs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.43
MAPT P10636 4/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
KMT2A Q03164 1/20 0.43
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
DVL1 O14640 1/20 0.40
IRS1 P35568 1/20 0.40
GAB1 Q13480 1/20 0.40
PKM P14618 1/20 0.38
PFKFB3 Q16875 2/20 0.38
PFKFB4 Q16877 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 1/20 0.37
HTR6 P50406 3/20 0.36
BRD4 O60885 1/20 0.36

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
SCHEMBL5659461 0.84 PPARG (0.43) PPARGPPARDPPARAPFKFB3ALDH1A1
SCHEMBL4603948 0.83 MMP8 (0.43) MAPTKMT2APPARGPPARDPPARA
SCHEMBL27741742 0.83 DVL1 (0.35) KDM4EMAPTMEN1NPC1KMT2A
SCHEMBL5661105 0.81 GAA (0.45) PPARGPPARDPPARAPKMALDH1A1
SCHEMBL5659549 0.79 PPARG (0.40) PPARGPPARDPPARAPFKFB3ALDH1A1
SCHEMBL14572708 0.79 PPARG (0.40) PPARGPPARDPPARAPFKFB3ALDH1A1
SCHEMBL5661426 0.78 HTR6 (0.59) PPARGPPARDPPARAHTR6
SCHEMBL5662327 0.76 MMP8 (0.43) PPARGPPARDPPARAPFKFB3PFKFB4
SCHEMBL3029775 0.76 PPARG (0.62) PPARGPPARDPPARAHTR6BRD4
SCHEMBL4623984 0.75 MMP8 (0.42) PPARGPPARDPPARAPFKFB3PFKFB4

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
EP-1943245-A2 1,3-DISUBSTITUTED INDOLE DERIVATIVES FOR USE AS PPAR MODULATORS PLEXXIKON, INC. (US) 2008-07-16 EP disclosed
US-20070072904-A1 1-arylsulfone-substituted indole carboxylic acids or amides; peroxisome proliferator-activated receptor PPAR modulators; obesity, diabetes, cardiovascular disorders PLEXXIKON INC 2007-03-29 US disclosed
US-20070072904-A1 1-arylsulfone-substituted indole carboxylic acids or amides; peroxisome proliferator-activated receptor PPAR modulators; obesity, diabetes, cardiovascular disorders PLEXXIKON INC 2007-03-29 US disclosed
WO-2007030559-A2 1, 3-DISUBSTITUTED INDOLE DERIVATIVES FOR USE AS PPAR MODULATORS PLEXXIKON, INC. (US) 2007-03-15 WO disclosed
WO-2007030559-A2 1, 3-DISUBSTITUTED INDOLE DERIVATIVES FOR USE AS PPAR MODULATORS PLEXXIKON, INC. (US) 2007-03-15 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-20070072904-A1 1-arylsulfone-substituted indole carboxylic acids or amides; peroxisome proliferator-activated receptor PPAR modulators; obesity, diabetes, cardiovascular disorders PPARG, PPARA, PPARD KDM4E 2799/4885MAPT 4399/4885MEN1 4824/4885

“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.