SCHEMBL4063940

SCHEMBL4063940

CC1CCC(O)(C(CC(O)C(N)Cc2ccc(OC(F)(F)F)cc2)C(=O)NO)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.38
CYP3A4 P08684 1/20 0.37
UGCG Q16739 1/20 0.37
EPHX2 P34913 3/20 0.37
ACACB O00763 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
PTPN1 P18031 1/20 0.35
MMP8 P22894 3/20 0.35
MMP14 P50281 3/20 0.35
MMP1 P03956 2/20 0.34
MMP3 P08254 2/20 0.34
MMP9 P14780 2/20 0.34
MMP13 P45452 2/20 0.34
MMP2 P08253 1/20 0.34
SCN9A Q15858 1/20 0.34
HTR2C P28335 2/20 0.33
MMP7 P09237 1/20 0.33
VNN1 O95497 1/20 0.33
GRIK1 P39086 1/20 0.33

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
SCHEMBL4059574 0.90 EPHX1 (0.39) RENCYP3A4UGCGEPHX2ACACB
SCHEMBL4064242 0.87 ANPEP (0.36) RENMMP1MMP3MMP2
SCHEMBL2675968 0.85 MMP1 (0.40) RENMMP8MMP1MMP3MMP2
SCHEMBL7590174 0.85 MMP1 (0.40) RENMMP8MMP1MMP3MMP2
SCHEMBL4063937 0.84 SLC6A2 (0.36) CYP3A4EPHX2PPARGSCN9AVNN1
SCHEMBL4072973 0.81 HTT (0.41) RENCYP3A4HTR2C
SCHEMBL4060934 0.81 BACE1 (0.33)
SCHEMBL4063105 0.80 ANPEP (0.40) RENMMP3MMP9
SCHEMBL4069613 0.79 MME (0.35) RENMMP1MMP3MMP2
SCHEMBL4062026 0.79 EPHX1 (0.46) SCN9A

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 REN 1314/4885CYP3A4 1637/4885UGCG 1579/4885

“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.