SCHEMBL3327909

SCHEMBL3327909

O=S(=O)(c1cccc(OC(F)F)c1)n1ncc2cc(C3CNC3)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.49
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
KDM2B Q8NHM5 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
HTR6 P50406 3/20 0.37
BRD4 O60885 1/20 0.36
AKR1C3 P42330 1/20 0.34
FBP1 P09467 1/20 0.33

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
Tert-Butyl Formate SCHEMBL27774782 0.92 RORC (0.43) RORCHDAC3HDAC4HDAC1HDAC7
SCHEMBL3328455 0.86 RORC (0.47) RORCHDAC3HDAC4HDAC1HDAC7
SCHEMBL3328133 0.82 HTR6 (0.46) RORCHDAC3HDAC4HDAC1HDAC7
SCHEMBL3326144 0.82 HTR6 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3327330 0.82 RORC (0.43) RORCKDM2BHTR6AKR1C3GPR119
SCHEMBL27774780 0.82 RORC (0.43) RORCHDAC3HDAC4HDAC1HDAC7
SCHEMBL3327032 0.76 HTR6 (0.43) RORCCHRNB2CHRNA7CHRNA4HTR6
SCHEMBL3326066 0.76 BRD4 (0.43) RORCHDAC3HDAC4HDAC1HDAC7
Tert-Butyl Formate SCHEMBL27774752 0.75 HTR6 (0.42) RORCHDAC3HDAC1HDAC2HDAC10
Tert-Butyl Formate SCHEMBL27774776 0.75 HTR6 (0.37) RORCHDAC3HDAC4HDAC1HDAC7

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-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
CN-101679381-A Azetidin compounds suitable for treating disorders that respond to modulation of the serotonin 5-HT6 receptor ABBOTT GMBH & CO KG 2010-03-24 CN 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
CN-101679381-A Azetidin compounds suitable for treating disorders that respond to modulation of the serotonin 5-HT6 receptor ABBOTT GMBH & CO KG 2010-03-24 CN 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 RORC 637/4885HDAC3 729/4885HDAC4 1581/4885

“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.