SCHEMBL2543293

SCHEMBL2543293

COC([C@H](c1ccc(C(F)(F)F)cc1)[C@@H](CO)NC(=O)O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.41
PDE2A O00408 4/20 0.38
AKR1C3 P42330 2/20 0.37
AKR1C2 P52895 2/20 0.37
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
EEF2K O00418 1/20 0.36
LDHA P00338 1/20 0.35
LDHB P07195 1/20 0.35
FFAR1 O14842 3/20 0.34
ACE P12821 1/20 0.34
UTS2R Q9UKP6 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
SCHEMBL1595656 0.81 CNR2 (0.42) CNR2PDE2AAKR1C3AKR1C2EEF2K
SCHEMBL1595658 0.81 CNR2 (0.42) CNR2PDE2AAKR1C3AKR1C2EEF2K
SCHEMBL4298513 0.77 CNR2 (0.39) CNR2PDE2AAKR1C3AKR1C2PPARG
SCHEMBL1594709 0.77 CNR2 (0.45) CNR2PDE2AAKR1C3AKR1C2FFAR1
SCHEMBL1594711 0.77 CNR2 (0.45) CNR2PDE2AAKR1C3AKR1C2FFAR1
SCHEMBL2545456 0.77 TRPV3 (0.42) CNR2PDE2AAKR1C3AKR1C2LDHA
SCHEMBL2545452 0.77 TRPV3 (0.42) CNR2PDE2AAKR1C3AKR1C2LDHA
SCHEMBL1595014 0.75 CNR2 (0.41) CNR2PDE2AAKR1C3AKR1C2PPARG
SCHEMBL1595429 0.73 PDE2A (0.39) CNR2PDE2AAKR1C3AKR1C2EEF2K
SCHEMBL1595431 0.73 PDE2A (0.39) CNR2PDE2AAKR1C3AKR1C2EEF2K

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2011-10-27 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-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE TFEB, PCK2, JAK2 CNR2 2228/4885PDE2A 2083/4885AKR1C3 1560/4885

“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.