SCHEMBL4064381

SCHEMBL4064381

NC(=O)[C@H](Cc1ccccc1Cl)C[C@H](O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC15A1 P46059 1/20 0.41
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
CCR1 P32246 1/20 0.40
CSNK1E P49674 1/20 0.40
EPHX1 P07099 2/20 0.39
SPPL2A Q8TCT8 1/20 0.39
ERAP2 Q6P179 3/20 0.39
ERAP1 Q9NZ08 3/20 0.39
IL1RN P18510 2/20 0.39
ALPI P09923 1/20 0.39
PKM P14618 1/20 0.39
PTGS1 P23219 1/20 0.39
XIAP P98170 1/20 0.39
SLC7A5 Q01650 1/20 0.39
LMNA P02545 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37

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
SCHEMBL4062972 0.86 SLC1A3 (0.53) SLC15A1SLC1A3SLC1A2SLC1A1CCR1
SCHEMBL4070362 0.86 SLC15A1 (0.42) SLC15A1SLC1A3SLC1A2SLC1A1CCR1
SCHEMBL4063681 0.85 CSNK1E (0.43) SLC15A1SLC1A3SLC1A2SLC1A1CCR1
SCHEMBL4070175 0.85 SLC15A1 (0.41) SLC15A1SLC1A3SLC1A2SLC1A1CCR1
SCHEMBL4067774 0.82 SPPL2A (0.47) SLC15A1SLC1A3SLC1A2SLC1A1CCR1
SCHEMBL4061939 0.81 CSNK1E (0.40) SLC15A1SLC1A3SLC1A2SLC1A1CCR1
SCHEMBL4063823 0.80 ERAP2 (0.48) SLC15A1SLC1A3SLC1A2SLC1A1CCR1
SCHEMBL4068169 0.79 SLC1A3 (0.46) SLC15A1SLC1A3SLC1A2SLC1A1CCR1
SCHEMBL4066979 0.79 SLC1A3 (0.46) SLC15A1SLC1A3SLC1A2SLC1A1CCR1
SCHEMBL4070564 0.77 SLC7A5 (0.39) SLC15A1SLC1A3SLC1A2SLC1A1CCR1

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 5 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
EP-0966443-A1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1-ALPHA BINDING TO ITS CCR1 RECEPTOR PFIZER INC. (US) 1999-12-29 EP disclosed
WO-1998038167-A1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1-ALPHA BINDING TO ITS CCR1 RECEPTOR PFIZER INC. (US) 1998-09-03 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-20020198207-A1 Novel Hexanoic acid derivatives HCAR3, HCAR1, FFAR1 SLC15A1 2584/4885SLC1A3 1901/4885SLC1A2 2603/4885

“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.