SCHEMBL4064796

SCHEMBL4064796

CC(F)(CCC(CC(O)[CH]Cc1ccc(OC(F)(F)F)cc1)C(N)=O)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.44
VNN1 O95497 1/20 0.37
EPHX2 P34913 3/20 0.35
NR1H4 Q96RI1 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
GRIK1 P39086 1/20 0.35
GRIK2 Q13002 1/20 0.35
TEAD1 P28347 1/20 0.34
ACE P12821 1/20 0.34
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
GRIN2B Q13224 1/20 0.33
ACACB O00763 1/20 0.33
MAPK8 P45983 1/20 0.33
AMPD2 Q01433 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL4068795 0.88 EPHX1 (0.41) EPHX1VNN1PPARGPPARAAMPD2
SCHEMBL4068827 0.87 EPHX1 (0.33) EPHX1VNN1HPGD
SCHEMBL4065301 0.87 EPHX1 (0.33) EPHX1VNN1HPGD
SCHEMBL6167494 0.86 CCR1 (0.40) EPHX1GRIK1
SCHEMBL4071145 0.81 CCR1 (0.34)
SCHEMBL2675451 0.79 CCR1 (0.42) VNN1
SCHEMBL4069920 0.78 CCR1 (0.37)
SCHEMBL6168510 0.78 CCR1 (0.34) GRIK1
SCHEMBL6169158 0.78 CCR1 (0.34) GRIK1
SCHEMBL4060626 0.77 MMP3 (0.38) VNN1

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 3 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

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 EPHX1 805/4885VNN1 3540/4885EPHX2 1101/4885

“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.