SCHEMBL4067774

SCHEMBL4067774

NC(=O)[C@@H](Cc1ccc(Cl)c(Cl)c1)C[C@H](O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SPPL2A Q8TCT8 1/20 0.47
KMO O15229 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
FPR2 P25090 1/20 0.42
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
KIF11 P52732 2/20 0.41
PNMT P11086 1/20 0.41
CCR1 P32246 1/20 0.41
AADAT Q8N5Z0 1/20 0.40
SLC15A1 P46059 1/20 0.39
CYP1A2 P05177 1/20 0.39
CSNK1E P49674 1/20 0.39
DPP4 P27487 1/20 0.38
DPP7 Q9UHL4 1/20 0.38

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 0.87 SLC1A3 (0.53) SLC1A3SLC1A2SLC1A1CCR1SLC15A1
SCHEMBL4063823 0.83 ERAP2 (0.48) SLC1A3SLC1A2SLC1A1CCR1SLC15A1
SCHEMBL4064381 0.82 SLC15A1 (0.41) SPPL2APPARGPPARASLC1A3SLC1A2
SCHEMBL4063727 0.82 ANPEP (0.49) SLC1A3SLC1A2SLC1A1CCR1SLC15A1
SCHEMBL4066979 0.82 SLC1A3 (0.46) PPARGPPARASLC1A3SLC1A2SLC1A1
SCHEMBL4068169 0.82 SLC1A3 (0.46) PPARGPPARASLC1A3SLC1A2SLC1A1
SCHEMBL4061972 0.81 ANPEP (0.46) PPARGPPARASLC1A3SLC1A2SLC1A1
SCHEMBL4064868 0.81 SLC1A1 (0.50) PPARGPPARASLC1A3SLC1A2SLC1A1
SCHEMBL4071555 0.79 LTA4H (0.49) PPARGPPARA
SCHEMBL4071381 0.79 TAAR1 (0.50) PPARACYP1A2

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 SPPL2A 3637/4885KMO 1182/4885MEN1 4545/4885

“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.