SCHEMBL2548060

SCHEMBL2548060

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

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.37
AKR1C2 P52895 2/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
SLC6A1 P30531 1/20 0.36
PDPK1 O15530 1/20 0.36
LDHA P00338 1/20 0.35
LDHB P07195 1/20 0.35
TRPV3 Q8NET8 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
UTS2R Q9UKP6 1/20 0.35
GSK3B P49841 1/20 0.35
FFAR1 O14842 3/20 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
SCHEMBL1595216 1.00 AKR1C3 (0.37) AKR1C3AKR1C2CES2CES1KMT2A
SCHEMBL1742950 0.84 CES2 (0.37) AKR1C3AKR1C2CES2CES1PDPK1
SCHEMBL1742949 0.84 CES2 (0.37) AKR1C3AKR1C2CES2CES1PDPK1
SCHEMBL2544467 0.84 CES2 (0.37) AKR1C3AKR1C2CES2CES1PDPK1
SCHEMBL1594812 0.84 SLC6A4 (0.39) AKR1C3AKR1C2CES2CES1CYP3A4
SCHEMBL1595880 0.83 AKR1C3 (0.39) AKR1C3AKR1C2CES2CES1KMT2A
SCHEMBL1595011 0.81 AKR1C3 (0.40) AKR1C3AKR1C2CES2CES1FFAR1
SCHEMBL1595330 0.79 FFAR1 (0.34) AKR1C3AKR1C2CES2CES1KMT2A
SCHEMBL2541272 0.79 FFAR1 (0.34) AKR1C3AKR1C2CES2CES1KMT2A
SCHEMBL1743844 0.76 FFAR1 (0.34) AKR1C3AKR1C2CES2CES1UTS2R

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 AKR1C3 1560/4885AKR1C2 1488/4885CES2 1898/4885

“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.