SCHEMBL4067952

SCHEMBL4067952

O=C(NO)[C@@H](C[C@@H](O)[CH]Cc1ccccc1)C1(O)C2CCCC1CCC2

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.34
ANPEP P15144 2/20 0.34
MME P08473 1/20 0.34
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PSMB5 P28074 1/20 0.32

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
SCHEMBL4061845 0.88 HSD11B1 (0.38) MMP8ANPEPMMEHPGD
SCHEMBL4068023 0.83 MMP1 (0.38) MMP8ANPEPMMETSHRHDAC8
SCHEMBL4072351 0.82 MMP1 (0.37) MMP8ANPEPMMETSHR
SCHEMBL7590168 0.79 TSHR (0.36) MMP8ANPEPMMEALDH1A1TSHR
SCHEMBL2675965 0.79 TSHR (0.36) MMP8ANPEPMMEALDH1A1TSHR
SCHEMBL4067957 0.79 MMP1 (0.39) MMP8ANPEPMMEPSMB5
SCHEMBL2675864 0.78 CCR1 (0.38) MMP8ANPEPMMETSHRHDAC8
SCHEMBL2675825 0.78 CCR1 (0.38) MMP8ANPEPMMETSHRHDAC8
SCHEMBL4065393 0.77 KLK7 (0.35) MMP8ANPEPMMEHDAC8HDAC6
SCHEMBL4065347 0.73 ANPEP (0.32) MMP8ANPEPTSHRKMT2A

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 MMP8 3590/4885ANPEP 4623/4885MME 4751/4885

“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.