SCHEMBL4070252

SCHEMBL4070252

CNC(=O)[C@H](CC(C)C(N)=O)C[C@@H](O)[CH]Cc1ccc2ccccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.43
MMP9 P14780 2/20 0.42
MMP2 P08253 1/20 0.42
MMP8 P22894 1/20 0.42
ADAM17 P78536 2/20 0.39
FCER2 P06734 4/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
EPHX1 P07099 2/20 0.36
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
F7 P08709 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
REN P00797 1/20 0.36
HTR2A P28223 1/20 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
SCHEMBL4063155 0.84 SMN1; SMN2 (0.40) CCR1MEN1KMT2AGAASMN1; SMN2
SCHEMBL4058890 0.83 CCR1 (0.36) CCR1MMP9MMP2MMP8MAPT
SCHEMBL4069707 0.83 MMP3 (0.42) CCR1MMP9MMP2MMP8ADAM17
SCHEMBL4065205 0.82 FFAR2 (0.37) MMP2MEN1KMT2AL3MBTL1
SCHEMBL4063347 0.82 CCR1 (0.37) CCR1MMP2KMT2AGAAEPHX1
SCHEMBL4066984 0.82 LTA4H (0.47) MMP9MMP2MMP8RAB9ASMN1; SMN2
SCHEMBL4062862 0.76 MAOB (0.38) MMP2VNN1
SCHEMBL7687929 0.75 CCR1 (0.42) CCR1MMP9FCER2EPHX1REN
SCHEMBL4066674 0.75 MMP1 (0.32) MMP9
SCHEMBL4071248 0.74 CYP3A4 (0.50) MMP8KDM4EKMT2ARENVNN1

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 8 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
EP-1051405-B1 NOVEL DIHYDROXYHEXANOIC ACID DERIVATIVES PFIZER PROD INC (US) 2006-08-23 EP disclosed
US-6673801-B1 TREATING MULTIPLE SCLEROSIS OR RHEUMATOID ARTHRITIS PFIZER INC. 2004-01-06 US disclosed
US-20030018033-A1 Novel dihydroxyhexanoic acid derivatives KATH JOHN CHARLES (US) 2003-01-23 US 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-1051405-A2 NOVEL DIHYDROXYHEXANOIC ACID DERIVATIVES Pfizer Products Inc. (US) 2000-11-15 EP disclosed
WO-1999040061-A2 NOVEL DIHYDROXYHEXANOIC ACID DERIVATIVES PFIZER PRODUCTS INC. (US) 1999-08-12 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 (2 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-20030018033-A1 Novel dihydroxyhexanoic acid derivatives HCAR1, HCAR2, SLC27A1 CCR1 180/4885MMP9 3862/4885MMP2 3347/4885
US-20020198207-A1 Novel Hexanoic acid derivatives HCAR3, HCAR1, FFAR1 CCR1 21/4885MMP9 4307/4885MMP2 4427/4885

“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.