SCHEMBL4060239

SCHEMBL4060239

NC(=O)c1cc(OC(F)(F)F)ccc1C[C@H](C[C@@H](O)[CH]Cc1ccccc1)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.40
TRPM8 Q7Z2W7 1/20 0.38
PLA2G10 O15496 6/20 0.38
PLA2G2A P14555 6/20 0.38
PLA2G5 P39877 6/20 0.38
MAPK14 Q16539 1/20 0.37
FPR2 P25090 1/20 0.35
GRIN2B Q13224 1/20 0.34
CETP P11597 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
KCNB1 Q14721 1/20 0.34
CTSD P07339 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
GPR52 Q9Y2T5 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
SCHEMBL4066977 0.85 CYP3A4 (0.36) EPHX1PLA2G10PLA2G2APLA2G5
SCHEMBL4063820 0.83 KDM4E (0.37) PLA2G10PLA2G2APLA2G5
SCHEMBL4062969 0.81 ADRA1D (0.36) EPHX1PLA2G10PLA2G2A
SCHEMBL4070172 0.77 KMT2A (0.33) EPHX1PLA2G10PLA2G2APLA2G5
SCHEMBL4061937 0.75 HMGB1 (0.34) EPHX1PLA2G10PLA2G2APLA2G5
SCHEMBL4064377 0.74 ADRA1D (0.35) EPHX1PLA2G10PLA2G2APLA2G5
SCHEMBL7681396 0.73 AKR1B1 (0.37) EPHX1
SCHEMBL4068795 0.73 EPHX1 (0.41) EPHX1TRPM8CETPPPARA
SCHEMBL4070496 0.73 HMGB1 (0.39) PLA2G10PLA2G2APLA2G5
SCHEMBL4071551 0.73 PPARG (0.39) EPHX1PPARDPPARA

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 805/4885TRPM8 3936/4885PLA2G10 2826/4885

“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.