SCHEMBL4776505

SCHEMBL4776505

CCCOc1ccc(NC(=O)C(Cc2ccc(OCc3ccccc3)cc2)NC(=O)NC)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.52
MMP8 P22894 1/20 0.52
ACP1 P24666 1/20 0.49
PTPN12 Q05209 1/20 0.49
PTPN13 Q12923 1/20 0.49
SSU72 Q9NP77 1/20 0.49
HDAC8 Q9BY41 5/20 0.47
LTA4H P09960 1/20 0.46
FPR2 P25090 1/20 0.46
HDAC3 O15379 2/20 0.45
HDAC4 P56524 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC9 Q9UKV0 2/20 0.45
HDAC5 Q9UQL6 2/20 0.45
PNLIP P16233 1/20 0.45

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
SCHEMBL4776502 0.89 CENPE (0.56) MMP9MMP8ACP1PTPN12PTPN13
SCHEMBL4778789 0.85 LTA4H (0.55) ACP1PTPN12PTPN13SSU72HDAC8
SCHEMBL5569897 0.84 ACP1 (0.51) MMP9MMP8ACP1PTPN12PTPN13
SCHEMBL14421564 0.82 CENPE (0.51) HDAC8FPR2HDAC3HDAC4HDAC1
SCHEMBL14417653 0.77 HDAC8 (0.56) HDAC8
SCHEMBL5569895 0.73 ACP1 (0.50) MMP9MMP8ACP1PTPN12PTPN13
SCHEMBL4778783 0.73 LTA4H (0.56) ACP1PTPN12PTPN13SSU72HDAC8
SCHEMBL8418254 0.73 MMP9 (0.61) MMP9MMP8LTA4HMMEACE
SCHEMBL8418262 0.73 MMP9 (0.61) MMP9MMP8LTA4HMMEACE
SCHEMBL4884258 0.73 CSNK2A1 (0.55) LTA4HNPC1SMN1; SMN2

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-1942732-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-07-16 EP claimed
US-20070219192-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-09-20 US claimed
WO-2007056143-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO claimed
EP-1942732-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-07-16 EP disclosed
US-20070219192-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-09-20 US disclosed
WO-2007056143-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-20070219192-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 MMP9 3935/4885MMP8 2402/4885ACP1 314/4885

“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.