SCHEMBL4059574

SCHEMBL4059574

CC1CCC(O)(C(CC(O)C(N)Cc2ccc(OC(F)(F)F)cc2)C(N)=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.39
PTPN1 P18031 1/20 0.37
EPHX2 P34913 2/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
REN P00797 1/20 0.35
ACACB O00763 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
CYP3A4 P08684 1/20 0.35
UGCG Q16739 1/20 0.35
GPR88 Q9GZN0 1/20 0.35
AMPD2 Q01433 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
SPPL2B Q8TCT7 1/20 0.34
SPPL2A Q8TCT8 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34

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
SCHEMBL4063940 0.90 REN (0.38) PTPN1EPHX2RENACACBPPARG
SCHEMBL4062026 0.89 EPHX1 (0.46) EPHX1AMPD2
SCHEMBL4063900 0.86 CCR1 (0.37) EPHX1GPR88CCR1
SCHEMBL7581844 0.85 CCR1 (0.43) EPHX1RENCCR1
SCHEMBL4065716 0.85 CCR1 (0.43) EPHX1RENCCR1
SCHEMBL4060231 0.80 CCR1 (0.42) EPHX1RENCCR1
SCHEMBL4248926 0.80 EPHX1 (0.37) EPHX1CCR1
SCHEMBL4061055 0.78 SLC1A3 (0.36) GPR88CCR1
SCHEMBL4066915 0.78 CCR1 (0.42) EPHX1RENCCR1
SCHEMBL4059062 0.77 CCR1 (0.45) EPHX1PTPN1EPHX2SCN10AREN

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 EPHX1 805/4885PTPN1 1394/4885EPHX2 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.