SCHEMBL1742950

SCHEMBL1742950

CSC[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 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.37
CES1 P23141 2/20 0.37
PDPK1 O15530 1/20 0.36
GSK3B P49841 1/20 0.35
FFAR1 O14842 3/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
PDE2A O00408 2/20 0.35
EEF2K O00418 1/20 0.34
UTS2R Q9UKP6 2/20 0.34
CNR2 P34972 1/20 0.34
KIF11 P52732 1/20 0.34
MDM2 Q00987 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
SCHEMBL1742949 1.00 CES2 (0.37) CES2CES1PDPK1GSK3BFFAR1
SCHEMBL2544467 1.00 CES2 (0.37) CES2CES1PDPK1GSK3BFFAR1
SCHEMBL1594812 0.85 SLC6A4 (0.39) CES2CES1PDPK1GSK3BFFAR1
SCHEMBL2548060 0.84 AKR1C3 (0.37) CES2CES1PDPK1GSK3BFFAR1
SCHEMBL1595216 0.84 AKR1C3 (0.37) CES2CES1PDPK1GSK3BFFAR1
SCHEMBL1595011 0.82 AKR1C3 (0.40) CES2CES1FFAR1AKR1C3AKR1C2
SCHEMBL1595880 0.79 AKR1C3 (0.39) CES2CES1FFAR1AKR1C3AKR1C2
SCHEMBL1594705 0.77 FFAR1 (0.34) CES2CES1FFAR1AKR1C3AKR1C2
SCHEMBL2549587 0.77 FFAR1 (0.34) CES2CES1FFAR1AKR1C3AKR1C2
SCHEMBL1594707 0.77 FFAR1 (0.34) CES2CES1FFAR1AKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2387570-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE Amgen, Inc (US) 2011-11-23 EP disclosed
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 CES2 1898/4885CES1 1138/4885PDPK1 41/4885

“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.