SCHEMBL4070032

SCHEMBL4070032

CC(CNC(=O)CC[C@@H](O)[CH]Cc1ccccc1)C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.45
MMP2 P08253 4/20 0.42
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
SLC1A1 P43005 2/20 0.38
LTA4H P09960 1/20 0.38
SLC1A2 P43004 1/20 0.38
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ASAH1 Q13510 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP12 P39900 1/20 0.37
MMP14 P50281 1/20 0.37
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.36
LAP3 P28838 2/20 0.36

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
SCHEMBL4243719 0.76 KMT2A (0.41) HPGDALDH1A1L3MBTL1MEN1MAPT
SCHEMBL3350966 0.75 LTA4H (0.34) LMNAPKMLTA4HALDH1A1L3MBTL1
SCHEMBL6832227 0.74 IL1RN (0.39) TSHRANPEPRNPEPDNPEP
SCHEMBL4747291 0.74 GAA (0.58) HPGDLMNASLC1A1ALDH1A1L3MBTL1
SCHEMBL7589895 0.72 LAP3 (0.49) LMNAPKML3MBTL1MMP8LAP3
SCHEMBL4071248 0.71 CYP3A4 (0.50) MMP8KMT2ATSHRLAP3ANPEP
SCHEMBL6164189 0.70 MMP1 (0.36) MMP2ALDH1A1MMP12
SCHEMBL4041830 0.69 METAP2 (0.41) HPGDMMP2LMNAALDH1A1MMP9
SCHEMBL4047002 0.69 EPHX1 (0.42) MEN1KMT2A
SCHEMBL27660866 0.68 EPHX1 (0.46) PKMSLC1A1SLC1A2ALDH1A1L3MBTL1

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 HPGD 2583/4885MMP2 4427/4885LMNA 4874/4885

“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.