SCHEMBL1742763

SCHEMBL1742763

CON(C)C(=O)[C@@H](NC(=O)O)[C@@](O[Si](C)(C)C(C)(C)C)(c1ccc(C(F)(F)F)cc1)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.33
NOS1 P29475 3/20 0.33
NOS2 P35228 3/20 0.33
MLYCD O95822 1/20 0.32
PDE2A O00408 3/20 0.32
UTS2R Q9UKP6 3/20 0.31
NPC1 O15118 1/20 0.31
GMNN O75496 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
HTR1A P08908 1/20 0.31
THRB P10828 1/20 0.31
PIM1 P11309 1/20 0.31
CYP2C9 P11712 1/20 0.31
MAOA P21397 1/20 0.31
SLC6A2 P23975 1/20 0.31
HTR2A P28223 1/20 0.31
AGTR1 P30556 1/20 0.31

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
SCHEMBL2547677 0.77 PDE2A (0.35) PDE2AUTS2RCYP26A1
SCHEMBL2547680 0.77 PDE2A (0.35) PDE2AUTS2RCYP26A1
SCHEMBL4839775 0.71 TEAD1 (0.37) MLYCDPDE2AUTS2RCYP26A1SLC6A9
SCHEMBL12241678 0.67 JAK3 (0.36) PDE2AUTS2RCYP26A1PPARA
SCHEMBL15736879 0.67 PDF (0.37)
SCHEMBL1742760 0.66 TEAD1 (0.35) MLYCDPDE2ACYP26A1SLC6A9
SCHEMBL1743596 0.64 TRPV1 (0.36) PDE2ANPC1GMNNLMNATP53
SCHEMBL2837436 0.63 JAK3 (0.42) PDE2AMAPTPPARA
SCHEMBL1807815 0.62 JAK3 (0.34)
SCHEMBL18989374 0.62 JAK3 (0.34)

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 NOS3 1371/4885NOS1 1543/4885NOS2 1195/4885

“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.