SCHEMBL4070035

SCHEMBL4070035

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.57
HPGD P15428 1/20 0.57
LAP3 P28838 4/20 0.54
ANPEP P15144 2/20 0.54
RNPEP Q9H4A4 2/20 0.54
DNPEP Q9ULA0 2/20 0.54
CSNK1E P49674 1/20 0.50
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP12 P39900 1/20 0.46
MMP14 P50281 1/20 0.46
SLC1A1 P43005 2/20 0.45
LMNA P02545 1/20 0.45
PKM P14618 1/20 0.45
SLC1A2 P43004 1/20 0.44
CTSD P07339 2/20 0.43

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
SCHEMBL16312274 0.85 SLC1A1 (0.58) MMP2HPGDLAP3ANPEPRNPEP
SCHEMBL28900958 0.83 CTSD (0.53) MMP2LAP3ANPEPRNPEPDNPEP
SCHEMBL16296316 0.83 CTSD (0.53) MMP2LAP3ANPEPRNPEPDNPEP
Hydrochloric Acid SCHEMBL17764787 0.82 CTSD (0.53) MMP2LAP3ANPEPRNPEPDNPEP
Hydrochloric Acid SCHEMBL28476239 0.82 CTSD (0.53) MMP2LAP3ANPEPRNPEPDNPEP
SCHEMBL7322901 0.80 CTSD (0.51) LAP3ANPEPRNPEPDNPEPCSNK1E
SCHEMBL7322905 0.80 CTSD (0.51) LAP3ANPEPRNPEPDNPEPCSNK1E
SCHEMBL6427941 0.79 LAP3 (0.52) MMP2HPGDLAP3ANPEPRNPEP
SCHEMBL10433814 0.78 CSNK1E (0.58) MMP2LAP3ANPEPRNPEPDNPEP
SCHEMBL7331822 0.78 CSNK1E (0.46) MMP2LAP3ANPEPRNPEPDNPEP

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 MMP2 4427/4885HPGD 2583/4885LAP3 3585/4885

“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.