SCHEMBL4065393

SCHEMBL4065393

NC(=O)CCC1CCC(O)([C@H](C[C@@H](O)[CH]Cc2ccccc2)C(=O)NO)CC1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 2/20 0.35
HDAC3 O15379 3/20 0.32
HDAC4 P56524 3/20 0.32
HDAC1 Q13547 3/20 0.32
HDAC7 Q8WUI4 3/20 0.32
HDAC2 Q92769 3/20 0.32
HDAC10 Q969S8 3/20 0.32
HDAC11 Q96DB2 3/20 0.32
HDAC8 Q9BY41 3/20 0.32
HDAC6 Q9UBN7 3/20 0.32
HDAC9 Q9UKV0 3/20 0.32
HDAC5 Q9UQL6 3/20 0.32
MMP8 P22894 2/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
ANPEP P15144 1/20 0.31
MME P08473 1/20 0.31
CCR1 P32246 1/20 0.31
HSD11B1 P28845 1/20 0.30

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
SCHEMBL4063930 0.90 CCR1 (0.34) KLK7BCHEACHECCR1HSD11B1
SCHEMBL7590168 0.87 TSHR (0.36) MMP8ANPEPMME
SCHEMBL2675965 0.87 TSHR (0.36) MMP8ANPEPMME
SCHEMBL4068023 0.83 MMP1 (0.38) HDAC4HDAC2HDAC8HDAC6MMP8
SCHEMBL4072351 0.82 MMP1 (0.37) HDAC4MMP8ANPEPMMECCR1
SCHEMBL4067877 0.80 CCR1 (0.35) CCR1
SCHEMBL2675825 0.80 CCR1 (0.38) HDAC8MMP8ANPEPMMECCR1
SCHEMBL2675864 0.80 CCR1 (0.38) HDAC8MMP8ANPEPMMECCR1
SCHEMBL4064238 0.78 ANPEP (0.34) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4063102 0.77 ANPEP (0.38) HDAC4HDAC7HDAC5ANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0966443-B1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1-ALPHA BINDING TO ITS CCR1 RECEPTOR PFIZER (US) 2009-01-28 EP disclosed
US-20020198207-A1 Novel Hexanoic acid derivatives KATH JOHN CHARLES (US) 2002-12-26 US disclosed
US-6403587-B1 AUTOIMMUNE DISEASES, ACUTE AND CHRONIC INFLAMMATORY CONDITIONS, ALLERGIC CONDITIONS, INFECTION ASSOCIATED WITH INFLAMMATION, VIRAL, TRANSPLANTATION TISSUE REJECTION, ATHEROSCLEROSIS, RESTENOSIS, HIV INFECTIVITY, AND PFIZER INC. 2002-06-11 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-20020198207-A1 Novel Hexanoic acid derivatives HCAR3, HCAR1, FFAR1 KLK7 3920/4885HDAC3 289/4885HDAC4 881/4885

“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.