SCHEMBL1743596

SCHEMBL1743596

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.36
PDE2A O00408 8/20 0.35
CNR2 P34972 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
MAPK14 Q16539 1/20 0.34
GMNN O75496 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
HTR1A P08908 1/20 0.34
THRB P10828 1/20 0.34
PIM1 P11309 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAOA P21397 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2A P28223 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
SCHEMBL2547680 0.84 PDE2A (0.35) PDE2AAKR1C3AKR1C2
SCHEMBL2547677 0.84 PDE2A (0.35) PDE2AAKR1C3AKR1C2
SCHEMBL5018934 0.82 AKR1C3 (0.39) TRPV1PDE2ACNR2NPC1RAB9A
SCHEMBL1744800 0.81 PDE2A (0.35) PDE2ACNR2CYP3A4
SCHEMBL1595431 0.81 PDE2A (0.39) TRPV1PDE2ACNR2AKR1C3AKR1C2
SCHEMBL1595429 0.81 PDE2A (0.39) TRPV1PDE2ACNR2AKR1C3AKR1C2
SCHEMBL2549581 0.81 PDE2A (0.35) PDE2ACNR2CYP3A4
SCHEMBL1596369 0.81 PDE2A (0.37) PDE2ACNR2
SCHEMBL1742741 0.80 PPARG (0.44) PDE2ACNR2AKR1C3AKR1C2
SCHEMBL5019017 0.80 PPARG (0.44) PDE2ACNR2AKR1C3AKR1C2

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 TRPV1 3301/4885PDE2A 2083/4885CNR2 2228/4885

“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.