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SCHEMBL4773551

SCHEMBL4773551

COC(=O)NCc1ccc(CNC(=O)c2ccc(NS(=O)(=O)CCc3cccc(Cl)c3Cl)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 2/20 0.45
▸ PPARG P37231 1/20 0.45
▸ EPHX2 P34913 5/20 0.43
▸ NR1H4 Q96RI1 3/20 0.43
▸ PKM P14618 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ TSHR P16473 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ HDAC9 Q9UKV0 1/20 0.39
▸ HDAC5 Q9UQL6 1/20 0.39

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
SCHEMBL4773543 0.91 EPHX2 (0.42) PPARAPPARGEPHX2NR1H4PKM
SCHEMBL4777500 0.90 EPHX2 (0.45) PPARAPPARGEPHX2NR1H4PKM
SCHEMBL4776525 0.89 PPARA (0.47) PPARAPPARGEPHX2NR1H4PKM
SCHEMBL4775200 0.89 L3MBTL1 (0.47) PPARAPPARGTSHRSMN1; SMN2NPSR1
SCHEMBL4771091 0.89 EPHX2 (0.43) PPARAPPARGEPHX2NR1H4PKM
SCHEMBL4776480 0.88 PPARG (0.44) PPARAPPARGEPHX2NR1H4PKM
SCHEMBL4767724 0.87 L3MBTL1 (0.41) EPHX2NR1H4KMT2ANPSR1ALDH1A1
SCHEMBL4777516 0.87 L3MBTL1 (0.41) EPHX2NR1H4KMT2AALDH1A1L3MBTL1
SCHEMBL4769612 0.86 HDAC6 (0.42) EPHX2NR1H4KMT2AALDH1A1L3MBTL1
SCHEMBL4773523 0.86 EPHX2 (0.41) PPARAPPARGEPHX2NR1H4PKM

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 PPARA 2973/4885PPARG 2756/4885EPHX2 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.