SCHEMBL4072870

SCHEMBL4072870

CC(C)CCC(CC(O)C(N)Cc1cccnc1)C(=O)NO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 3/20 0.44
MMP8 P22894 2/20 0.44
LAP3 P28838 3/20 0.41
ANPEP P15144 2/20 0.41
RNPEP Q9H4A4 1/20 0.41
DNPEP Q9ULA0 1/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 1/20 0.41
CCR1 P32246 2/20 0.40
MMP1 P03956 2/20 0.39
MMP13 P45452 2/20 0.39
ERAP2 Q6P179 1/20 0.39
ERAP1 Q9NZ08 1/20 0.39
TBXAS1 P24557 2/20 0.38
MMP2 P08253 2/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.37
RECQL P46063 1/20 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
SCHEMBL4071586 0.78 REN (0.42) LAP3ANPEPRNPEPDNPEPCCR1
SCHEMBL4072541 0.76 CTSD (0.43)
SCHEMBL4069111 0.74 C3AR1 (0.45) CCR1
SCHEMBL4068864 0.74 CCR1 (0.44) MMP9MMP8PKMKMT2ACCR1
SCHEMBL4070249 0.73 SLC1A3 (0.49) MMP8LAP3ANPEPRNPEPDNPEP
SCHEMBL4069924 0.73 CCR1 (0.50) ANPEPCCR1ERAP2ERAP1RECQL
SCHEMBL7580246 0.73 CCR1 (0.54) LAP3ANPEPRNPEPDNPEPCCR1
SCHEMBL6832228 0.73 CCR1 (0.54) LAP3ANPEPRNPEPDNPEPCCR1
SCHEMBL4067803 0.72 CCR1 (0.56) ANPEPPKMKMT2ACCR1ERAP2
SCHEMBL2675795 0.72 CCR1 (0.50) LAP3ANPEPRNPEPDNPEPCCR1

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 MMP9 4307/4885MMP8 3590/4885LAP3 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.