SCHEMBL4065347

SCHEMBL4065347

CC1CC(C(N)=O)C[C@](O)([C@H](C[C@@H](O)[CH]Cc2ccccc2)C(=O)NO)C1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.32
ADAM17 P78536 3/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.30
MMP8 P22894 1/20 0.30
FCER2 P06734 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
SCHEMBL4061953 0.90 CCR1 (0.32) KMT2A
SCHEMBL2675965 0.85 TSHR (0.36) ANPEPTSHRKMT2AMMP8
SCHEMBL7590168 0.85 TSHR (0.36) ANPEPTSHRKMT2AMMP8
SCHEMBL4068023 0.79 MMP1 (0.38) ANPEPTSHRMMP8
SCHEMBL4072351 0.78 MMP1 (0.37) ANPEPTSHRMMP8
SCHEMBL4064238 0.77 ANPEP (0.34) ANPEPKMT2A
SCHEMBL4065393 0.77 KLK7 (0.35) ANPEPMMP8
SCHEMBL2675825 0.76 CCR1 (0.38) ANPEPTSHRMMP8
SCHEMBL2675864 0.76 CCR1 (0.38) ANPEPTSHRMMP8
SCHEMBL4063102 0.76 ANPEP (0.38) ANPEP

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 ANPEP 4623/4885ADAM17 4783/4885TSHR 1211/4885

“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.