SCHEMBL428077

SCHEMBL428077

Cc1nnc(-c2cc3c(OS(=O)(=O)C(F)(F)F)cccc3o2)o1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.35
BRD4 O60885 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
F2RL3 Q96RI0 4/20 0.34
DRD2 P14416 5/20 0.33
DRD3 P35462 4/20 0.33
CTSA P10619 1/20 0.33
GUSB P08236 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
HTR1D P28221 2/20 0.32
PDK2 Q15119 1/20 0.32
DRD4 P21917 1/20 0.32
HTR5A P47898 1/20 0.32

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
SCHEMBL5585103 0.79 F2RL3 (0.46) CA12CA1CA2CA9F2RL3
SCHEMBL428470 0.73 F2RL3 (0.41) F2RL3
SCHEMBL5584679 0.73 F2RL3 (0.39) BRD4F2RL3MKNK1
SCHEMBL7803357 0.71 LMNA (0.44) NOTUMCA12CA1CA2CA9
SCHEMBL5584474 0.70 ALDH1A1 (0.46) NOTUMBRD4F2RL3MKNK1
SCHEMBL5584429 0.70 ALDH1A1 (0.46) NOTUMBRD4F2RL3MKNK1
SCHEMBL5584743 0.70 F2RL3 (0.43) CA12CA1CA2CA9F2RL3
SCHEMBL8464810 0.70 CYP2A6 (0.56) CA12CA1CA2CA9DRD2
SCHEMBL2784991 0.69 DRD2 (0.35) CA12CA1CA2CA9DRD2
Hydrogen Sulfide SCHEMBL6881209 0.69 CYP2A6 (0.55) CA12CA1CA2CA9DRD2

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
US-20120022056-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS BENTLEY JONATHAN (IT) 2012-01-26 US disclosed
US-20120022056-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS BENTLEY JONATHAN (IT) 2012-01-26 US disclosed
US-20120022056-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS BENTLEY JONATHAN (IT) 2012-01-26 US disclosed
EP-1786822-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS GLAXO GROUP LIMITED (GB) 2007-05-23 EP disclosed
WO-2006024517-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS GLAXO GROUP LIMITED (GB) 2006-03-09 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-20120022056-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS GABBR1, GABRQ, GABRE NOTUM 4486/4885BRD4 1603/4885CA12 4158/4885

“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.