SCHEMBL7591136

SCHEMBL7591136

NC(=O)Oc1cccc(C[C@H](C[C@@H](O)[CH]Cc2ccccc2)C(N)=O)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
FOLH1 Q04609 1/20 0.37
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
CCR1 P32246 1/20 0.33
CYP1A2 P05177 1/20 0.33
F10 P00742 1/20 0.33
PRSS1 P07477 1/20 0.33
PLA2G10 O15496 1/20 0.33
PLA2G2A P14555 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
SCHEMBL4071551 0.88 PPARG (0.39) SLC1A3SLC1A2SLC1A1PPARGPPARA
SCHEMBL7685992 0.83 GRIA2 (0.41) FOLH1SLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL4061971 0.82 FOLH1 (0.50) FOLH1F10PRSS1PLA2G10PLA2G2A
SCHEMBL7679450 0.78 TRPV1 (0.48) SLC1A3SLC1A2SLC1A1CCR1CYP1A2
SCHEMBL4048154 0.78 BCHE (0.43) KMT2AMEN1
SCHEMBL4041765 0.76 ADRB3 (0.46) KMT2AMEN1
SCHEMBL7681396 0.75 AKR1B1 (0.37) SLC1A3SLC1A2SLC1A1CCR1CYP1A2
SCHEMBL4062969 0.74 ADRA1D (0.36) KMT2AFOLH1SLC1A3SLC1A2SLC1A1
SCHEMBL4061937 0.73 HMGB1 (0.34) KMT2AMEN1SLC1A3SLC1A2SLC1A1
SCHEMBL4063724 0.73 BID (0.36) FOLH1SLC1A3SLC1A2SLC1A1CCR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KMT2A 2539/4885MEN1 4545/4885FOLH1 2636/4885

“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.