SCHEMBL3529357

SCHEMBL3529357

COc1cc(OCc2sc(C3CCC(C(F)(F)F)CC3)nc2CN2CCC(C(F)(F)F)CC2)ccc1-c1noc(=O)[nH]1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.34
PDE7A Q13946 1/20 0.32
POLB P06746 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
KCNH2 Q12809 1/20 0.32
BRD4 O60885 1/20 0.31
TP53 P04637 1/20 0.31
NR1H4 Q96RI1 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
SCHEMBL13343397 1.00 AGTR1 (0.34) AGTR1PDE7APOLBSMN1; SMN2KDM4E
SCHEMBL3529260 0.92
SCHEMBL13343405 0.92
SCHEMBL14541662 0.91 AGTR1 (0.33) AGTR1NR1H4CXCR3HRH3
SCHEMBL3529129 0.91 AGTR1 (0.33) AGTR1NR1H4CXCR3HRH3
SCHEMBL3530633 0.89 AGTR1 (0.33) AGTR1POLBSMN1; SMN2CXCR3
SCHEMBL13343400 0.89 AGTR1 (0.33) AGTR1POLBSMN1; SMN2CXCR3
SCHEMBL3524448 0.87 AGTR1 (0.34) AGTR1POLBSMN1; SMN2KDM4EMEN1
SCHEMBL13343385 0.87 AGTR1 (0.34) AGTR1POLBSMN1; SMN2KDM4EMEN1
SCHEMBL3766706 0.86 CTSS (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1931337-B1 PHENYL- AND PYRIDINYL- 1, 2 , 4 - OXADIAZOLONE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2013-10-23 EP disclosed
US-7709481-B2 Phenyl-1,2,4-oxadiazolone derivatives, processes for their preparation and methods for their use as pharmaceuticals SANOFI-AVENTIS (FR) 2010-05-04 US disclosed
US-20080261979-A1 Phenyl-1,2,4-Oxadiazolone Derivatives, Processes For Their Preparation and Methods For Their Use as Pharmaceuticals SANOFI-AVENTIS (FR) 2008-10-23 US disclosed
EP-1931337-A2 PHENYL- AND PYRIDINYL- 1, 2 , 4 - OXADIAZOLONE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2008-06-18 EP disclosed
WO-2007039177-A2 PHENYL- AND PYRIDINYL- 1, 2 , 4 - OXADIAZOLONE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-04-12 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 (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-20080261979-A1 Phenyl-1,2,4-Oxadiazolone Derivatives, Processes For Their Preparation and Methods For Their Use as Pharmaceuticals PPARD, PPARA, PPARG AGTR1 151/4885PDE7A 144/4885POLB 2669/4885

“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.