SCHEMBL3326066

SCHEMBL3326066

O=S(=O)(c1cccc(OC(F)F)c1)n1ccc2cc(C3CNC3)cnc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.43
FGFR4 P22455 11/20 0.39
FGFR1 P11362 1/20 0.39
FGFR2 P21802 1/20 0.39
FGFR3 P22607 1/20 0.39
CYP3A4 P08684 1/20 0.38
HTR6 P50406 1/20 0.38
RORC P51449 2/20 0.37
KDM2B Q8NHM5 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36

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
SCHEMBL3328133 0.83 HTR6 (0.46) BRD4CYP3A4HTR6RORCKDM2B
SCHEMBL3327805 0.83 CYP2C19 (0.52) FGFR4CYP3A4HTR6CYP2C19
SCHEMBL3328057 0.82 BRD4 (0.40) BRD4FGFR4FGFR1FGFR2FGFR3
Tert-Butyl Formate SCHEMBL27774752 0.76 HTR6 (0.42) BRD4CYP3A4HTR6RORCKDM2B
SCHEMBL3327909 0.76 RORC (0.49) BRD4HTR6RORCKDM2BHDAC3
Tert-Butyl Formate SCHEMBL27795729 0.76 CYP2C19 (0.42) FGFR4CYP3A4HTR6HDAC3HDAC4
SCHEMBL3323360 0.72 HTR6 (0.44) CYP3A4HTR6HDAC3HDAC4HDAC1
SCHEMBL3326162 0.72 HTR6 (0.46) FGFR4CYP3A4HTR6
SCHEMBL3327032 0.72 HTR6 (0.43) BRD4CYP3A4HTR6RORCCHRNB2
Tert-Butyl Formate SCHEMBL27774782 0.70 RORC (0.43) BRD4HTR6RORCKDM2BHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507469-B2 Azetidin compounds suitable for treating disorders that respond to modulation of the serotonin 5-HT6 receptor ABBOTT GMBH & CO. KG (DE) 2013-08-13 US claimed
US-20100137280-A1 AZETIDIN COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2010-06-03 US claimed
EP-2155724-A1 AZETIDIN COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR Abbott GmbH & Co. KG (DE) 2010-02-24 EP claimed
WO-2008116833-A1 AZETIDIN COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2008-10-02 WO claimed
US-8507469-B2 Azetidin compounds suitable for treating disorders that respond to modulation of the serotonin 5-HT6 receptor ABBOTT GMBH & CO. KG (DE) 2013-08-13 US disclosed
US-20100137280-A1 AZETIDIN COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2010-06-03 US disclosed
EP-2155724-A1 AZETIDIN COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR Abbott GmbH & Co. KG (DE) 2010-02-24 EP disclosed
WO-2008116833-A1 AZETIDIN COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2008-10-02 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-20100137280-A1 AZETIDIN COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR HTR6, HTR4, HTR3C BRD4 1596/4885FGFR4 1441/4885FGFR1 1050/4885

“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.