SCHEMBL4071248

SCHEMBL4071248

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LAP3 P28838 2/20 0.37
ACE P12821 2/20 0.37
ANPEP P15144 1/20 0.37
RNPEP Q9H4A4 1/20 0.37
DNPEP Q9ULA0 1/20 0.37
CYP2D6 P10635 1/20 0.37
KMT2A Q03164 1/20 0.37
REN P00797 1/20 0.37
MME P08473 1/20 0.37
MMP8 P22894 1/20 0.37
VNN1 O95497 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
SCHEMBL7589895 0.90 LAP3 (0.49) LAP3ANPEPRNPEPDNPEPMMP8
SCHEMBL6832227 0.77 IL1RN (0.39) TSHRACEANPEPRNPEPDNPEP
SCHEMBL4066984 0.77 LTA4H (0.47) CYP2C19RENMMP8
SCHEMBL4039170 0.76 HPGD (0.41) CYP3A4KDM4EACEMMP8
SCHEMBL4058890 0.76 CCR1 (0.36) ACEMMP8
SCHEMBL3936972 0.75 REN (0.47) CYP2C9CYP2C19CYP2D6KMT2AREN
SCHEMBL4040963 0.75 REN (0.47) CYP2C9CYP2C19CYP2D6KMT2AREN
SCHEMBL4065205 0.75 FFAR2 (0.37) CYP2C9CYP2C19ACECYP2D6KMT2A
SCHEMBL4063347 0.75 CCR1 (0.37) TSHRACEANPEPKMT2A
SCHEMBL4043492 0.74 VNN1 (0.39) LAP3ACEANPEPRNPEPDNPEP

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 CYP3A4 1637/4885TSHR 1211/4885CYP2C9 1975/4885

“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.