SCHEMBL1886604

SCHEMBL1886604

O=C(CCCCCCC(=O)Nc1ccc(C(=O)N[C@H](C(=O)OC2CCCC2)c2ccccc2)cc1)NO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.48
MMP9 P14780 2/20 0.48
ANPEP P15144 2/20 0.48
LTA4H P09960 2/20 0.48
LAP3 P28838 1/20 0.48
NPEPPS P55786 1/20 0.48
ERAP2 Q6P179 1/20 0.48
ERAP1 Q9NZ08 1/20 0.48
HDAC1 Q13547 11/20 0.48
HDAC6 Q9UBN7 10/20 0.48
HDAC3 O15379 8/20 0.48
HDAC8 Q9BY41 7/20 0.48
HDAC2 Q92769 7/20 0.48
HDAC4 P56524 6/20 0.48
HDAC7 Q8WUI4 6/20 0.48
HDAC11 Q96DB2 6/20 0.48
HDAC9 Q9UKV0 6/20 0.48
HDAC5 Q9UQL6 6/20 0.48
HDAC10 Q969S8 5/20 0.48
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL1886605 1.00 MMP2 (0.48) MMP2MMP9ANPEPLTA4HLAP3
SCHEMBL1491343 0.90 HDAC6 (0.48) MMP2MMP9ANPEPLTA4HLAP3
SCHEMBL1491338 0.90 HDAC6 (0.48) MMP2MMP9ANPEPLTA4HLAP3
SCHEMBL12673047 0.85 HDAC6 (0.55) LTA4HHDAC1HDAC6HDAC3HDAC8
Tefinostat SCHEMBL1491467 0.85 HDAC1 (0.48) MMP2MMP9ANPEPLTA4HLAP3
Tefinostat SCHEMBL1491564 0.85 HDAC1 (0.48) MMP2MMP9ANPEPLTA4HLAP3
Tefinostat SCHEMBL1491466 0.85 HDAC1 (0.48) MMP2MMP9ANPEPLTA4HLAP3
SCHEMBL1491326 0.83 HDAC1 (0.46) MMP2MMP9ANPEPLTA4HLAP3
SCHEMBL1491328 0.83 HDAC1 (0.46) MMP2MMP9ANPEPLTA4HLAP3
SCHEMBL1491503 0.83 HDAC6 (0.60) LTA4HHDAC1HDAC6HDAC3HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130116318-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2013-05-09 US disclosed
US-7939666-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-05-10 US 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-20130116318-A1 Enzyme Inhibitors HDAC1, HDAC11, HDAC7 MMP2 59/4885MMP9 77/4885ANPEP 1051/4885

“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.