SCHEMBL3659359

SCHEMBL3659359

COC(=O)c1ccc(-c2ccc(OC3CN(Cc4ccc(C(F)(F)F)cc4)C3)cn2)cc1C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 7/20 0.43
KDM4E B2RXH2 2/20 0.40
ADRB2 P07550 1/20 0.40
PRKAA2 P54646 2/20 0.40
HIF1A Q16665 4/20 0.39
EPAS1 Q99814 4/20 0.39
PARP1 P09874 1/20 0.39
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39
PRKAG2 Q9UGJ0 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL3659855 0.92 STAT3 (0.45) STAT3ADRB2PRKAA2
SCHEMBL6519504 0.91 PARP1 (0.45) STAT3ADRB2PRKAA2HIF1AEPAS1
SCHEMBL6520829 0.91 STAT3 (0.42) STAT3ADRB2PRKAA2PARP1
SCHEMBL6520781 0.90 ADRB2 (0.41) STAT3ADRB2PRKAA2HIF1AEPAS1
SCHEMBL3711560 0.90 PARP1 (0.41) STAT3ADRB2PRKAA2HIF1AEPAS1
SCHEMBL12788268 0.88 CHRM4 (0.43) STAT3PARP1
SCHEMBL12788271 0.88 STAT3 (0.44) STAT3ADRB2PRKAA2
SCHEMBL3660709 0.88 ADRB2 (0.52) STAT3ADRB2PRKAA2PRKAB2PRKAG1
SCHEMBL12788269 0.88 ADRB2 (0.50) STAT3ADRB2PRKAA2PRKAB2PRKAG1
SCHEMBL6524323 0.87 CHRM2 (0.41) STAT3ADRB2PARP1

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-20110059942-A1 Azetidinyl G-Protein Coupled Receptor Agonists PROSIDION LIMITED (GB) 2011-03-10 US disclosed
US-20110059942-A1 Azetidinyl G-Protein Coupled Receptor Agonists PROSIDION LIMITED (GB) 2011-03-10 US disclosed
US-20110059942-A1 Azetidinyl G-Protein Coupled Receptor Agonists PROSIDION LIMITED (GB) 2011-03-10 US disclosed
EP-2215077-A1 AZETIDINYL G-PROTEIN COUPLED RECEPTOR AGONISTS Prosidion Limited (GB) 2010-08-11 EP disclosed
WO-2009050522-A1 AZETIDINYL G-PROTEIN COUPLED RECEPTOR AGONISTS PROSIDION LIMITED (GB) 2009-04-23 WO disclosed
WO-2009050522-A1 AZETIDINYL G-PROTEIN COUPLED RECEPTOR AGONISTS PROSIDION LIMITED (GB) 2009-04-23 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-20110059942-A1 Azetidinyl G-Protein Coupled Receptor Agonists GPR119, GIPR, GPR39 STAT3 1637/4885KDM4E 2703/4885ADRB2 126/4885

“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.