SCHEMBL1594933

SCHEMBL1594933

C[C@@H](c1ccc(C(F)(F)F)cc1)C1COSN1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 3/20 0.39
AKR1C3 P42330 2/20 0.39
AKR1C2 P52895 2/20 0.39
DPP4 P27487 2/20 0.38
DPP7 Q9UHL4 2/20 0.38
DPP8 Q6V1X1 1/20 0.38
FFAR1 O14842 3/20 0.36
PSEN1 P49768 2/20 0.36
PSEN2 P49810 2/20 0.36
APH1B Q8WW43 2/20 0.36
NCSTN Q92542 2/20 0.36
APH1A Q96BI3 2/20 0.36
PSENEN Q9NZ42 2/20 0.36
HSD11B1 P28845 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
KCNH2 Q12809 2/20 0.34
CYP3A4 P08684 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 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
SCHEMBL1594437 0.85 NR1H2 (0.39) TEAD1AKR1C3AKR1C2
SCHEMBL3792453 0.74 AKR1C3 (0.38) TEAD1AKR1C3AKR1C2DPP4DPP7
SCHEMBL23211870 0.73 DPP4 (0.46) TEAD1AKR1C3AKR1C2DPP4DPP7
SCHEMBL23212032 0.69 TEAD1 (0.50) TEAD1AKR1C3AKR1C2DPP4DPP7
SCHEMBL12056443 0.66 NR1H2 (0.39) TEAD1AKR1C3AKR1C2
SCHEMBL20825895 0.66 PDE2A (0.41) TEAD1AKR1C3AKR1C2HSD11B1CES2
SCHEMBL12241626 0.65 NR1H2 (0.39) TEAD1AKR1C3AKR1C2
SCHEMBL23212067 0.63 MAPT (0.48) TEAD1DPP4DPP7DPP8
SCHEMBL1797371 0.63 AKR1C3 (0.65) AKR1C3AKR1C2PSEN1PSEN2APH1B
SCHEMBL23211857 0.62 TACR1 (0.45) TEAD1AKR1C3AKR1C2DPP4DPP7

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 6 patents. 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
US-7919504-B2 Thiadiazole modulators of PKB AMGEN INC. (US) 2011-04-05 US disclosed
WO-2010083246-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-07-22 WO disclosed
EP-2167504-A2 THIADIAZOLE MODULATORS OF PKB Amgen, Inc (US) 2010-03-31 EP disclosed
US-20090298836-A1 Thiadiazole modulators of PKB AMGEN INC. (US) 2009-12-03 US disclosed
WO-2009011871-A2 THIADIAZOLE MODULATORS OF PKB AMGEN INC. (US) 2009-01-22 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 (2 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 TEAD1 1685/4885AKR1C3 1560/4885AKR1C2 1488/4885
US-20090298836-A1 Thiadiazole modulators of PKB PDK1, PDK2, MTOR TEAD1 893/4885AKR1C3 1646/4885AKR1C2 1537/4885

“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.