SCHEMBL4776480

SCHEMBL4776480

O=C(NCc1ccc(CCO)cc1)c1ccc(NS(=O)(=O)CCc2cccc(Cl)c2Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
EPHX2 P34913 3/20 0.43
NR1H4 Q96RI1 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
PKM P14618 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 2/20 0.39
TP53 P04637 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 2/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC11 Q96DB2 1/20 0.38

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
SCHEMBL4776525 0.91 PPARA (0.47) PPARGPPARAEPHX2NR1H4SMN1; SMN2
SCHEMBL4775200 0.91 L3MBTL1 (0.47) PPARGPPARASMN1; SMN2NPSR1L3MBTL1
SCHEMBL4777500 0.90 EPHX2 (0.45) PPARGPPARAEPHX2NR1H4SMN1; SMN2
SCHEMBL4771091 0.88 EPHX2 (0.43) PPARGPPARAEPHX2NR1H4SMN1; SMN2
SCHEMBL4773551 0.88 PPARA (0.45) PPARGPPARAEPHX2NR1H4SMN1; SMN2
SCHEMBL4773543 0.87 EPHX2 (0.42) PPARGPPARAEPHX2NR1H4SMN1; SMN2
SCHEMBL4777299 0.86 L3MBTL1 (0.46) EPHX2NR1H4SMN1; SMN2KMT2AL3MBTL1
SCHEMBL4773523 0.86 EPHX2 (0.41) PPARGPPARAEPHX2NR1H4SMN1; SMN2
SCHEMBL4773260 0.85 L3MBTL1 (0.44) EPHX2NR1H4KMT2AL3MBTL1CA1
SCHEMBL5571827 0.84 ALDH1A1 (0.46) PPARGPPARAEPHX2NR1H4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1942888-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-07-16 EP claimed
US-20070135435-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-14 US claimed
WO-2007056078-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO claimed
EP-1942888-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-07-16 EP disclosed
US-20070135435-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-14 US disclosed
WO-2007056078-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 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-20070135435-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 PPARG 2756/4885PPARA 2973/4885EPHX2 2831/4885

“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.