SCHEMBL4518776

SCHEMBL4518776

O=S(=O)(Cc1ccc(F)cc1F)Cc1ccc(F)cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.48
AGXT P21549 2/20 0.48
HTR2A P28223 9/20 0.46
HTR2C P28335 8/20 0.46
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
KCNH2 Q12809 3/20 0.42
DAO P14920 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
DRD2 P14416 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
SCHEMBL14378232 0.90 IDO1 (0.44) IDO1AGXTHTR2AHTR2CPSEN1
SCHEMBL14426961 0.85 IDO1 (0.41) IDO1AGXTHTR2AHTR2CPSEN1
SCHEMBL778121 0.83 IDO1 (0.46) IDO1AGXTHTR2AHTR2CPSEN1
SCHEMBL1271805 0.83 PTGS2 (0.47) IDO1AGXTHTR2AHTR2CPSEN1
SCHEMBL3229354 0.83 IDO1 (0.50) IDO1AGXTHTR2AHTR2CPSEN1
SCHEMBL1972231 0.83 IDO1 (0.46) IDO1AGXTHTR2AHTR2CPSEN1
SCHEMBL1271804 0.83 IDO1 (0.46) IDO1AGXTHTR2AHTR2CPSEN1
SCHEMBL10154290 0.79 PTGS2 (0.44) IDO1AGXTHTR2AHTR2CPSEN1
SCHEMBL16914844 0.79 CA1 (0.43) IDO1AGXTHTR2AHTR2CPSEN1
SCHEMBL18571256 0.77 IDO1 (0.41) IDO1AGXTHTR2AHTR2CPSEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203676-A1 G-protein Coupled Receptor Agonists PROSIDION LIMITED (GB) 2009-08-13 US disclosed
EP-1909791-A1 G-PROTEIN COUPLED RECEPTOR AGONISTS Prosidion Limited (GB) 2008-04-16 EP disclosed
WO-2007003964-A1 G-PROTEIN COUPLED RECEPTOR AGONISTS PROSIDION LIMITED (GB) 2007-01-11 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-20090203676-A1 G-protein Coupled Receptor Agonists GPR119, GCGR, GPBAR1 IDO1 3810/4885AGXT 1602/4885HTR2A 364/4885

“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.