SCHEMBL4529640

SCHEMBL4529640

COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)c2c1C[C@@H](NC(=O)C(F)(F)F)CO2

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.44
FABP4 P15090 1/20 0.42
ALPL P05186 8/20 0.38
HTR6 P50406 2/20 0.38
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
MALT1 Q9UDY8 3/20 0.36
HSD11B1 P28845 1/20 0.36
HSD17B2 P37059 1/20 0.36
QRFPR Q96P65 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL4522968 0.92 IDH1 (0.40) TP53ALPLHTR6POLBMAPT
SCHEMBL4961539 0.90 THRB (0.48) FABP4ALPLMAPTMALT1PI4KB
SCHEMBL4505898 0.90 MALT1 (0.41) ALPLHTR6MAPTMALT1HSD11B1
SCHEMBL4515375 0.89 HTR6 (0.49) TP53HTR6POLBMAPTQRFPR
SCHEMBL4512345 0.88 FABP4 (0.41) FABP4MAPTHSD11B1HSD17B2
SCHEMBL4523963 0.87 MEN1 (0.44) FABP4ALPLMAPTPI4KB
SCHEMBL4527771 0.85 MAPT (0.46) TP53ALPLPOLBMAPTHSD11B1
SCHEMBL4521563 0.84 MTNR1A (0.36) POLBMAPTMALT1
SCHEMBL4519102 0.84 HTR6 (0.49) TP53FABP4HTR6MAPTHSD11B1
SCHEMBL4507482 0.81 FABP4 (0.42) FABP4ALPLMAPTPI4KBSMN1; SMN2

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-20090099187-A1 Novel 8-Sulfonyl-3 Aminosubstituted Chroman or Tetrahydronaphtalene Derivatives Modulating the 5HT6 Receptor ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-20090099187-A1 Novel 8-Sulfonyl-3 Aminosubstituted Chroman or Tetrahydronaphtalene Derivatives Modulating the 5HT6 Receptor ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-20090099187-A1 Novel 8-Sulfonyl-3 Aminosubstituted Chroman or Tetrahydronaphtalene Derivatives Modulating the 5HT6 Receptor ASTRAZENECA AB (SE) 2009-04-16 US disclosed
EP-1888518-A1 NOVEL 8-SULFONYL-3 AMINOSUBSTITUTED CHROMAN OR TETRAHYDRONAPHTALENE DERIVATIVES MODULATING THE 5HT6 RECEPTOR AstraZeneca AB (SE) 2008-02-20 EP disclosed
WO-2006126938-A1 NOVEL 8-SULFONYL-3 AMINOSUBSTITUTED CHROMAN OR TETRAHYDRONAPHTALENE DERIVATIVES MODULATING THE 5HT6 RECEPTOR ASTRAZENECA AB (SE) 2006-11-30 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-20090099187-A1 Novel 8-Sulfonyl-3 Aminosubstituted Chroman or Tetrahydronaphtalene Derivatives Modulating the 5HT6 Receptor HTR6, HTR1D, HTR1A TP53 4228/4885FABP4 4575/4885ALPL 4860/4885

“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.