SCHEMBL4530432

SCHEMBL4530432

COc1ccc(S(=O)(=O)Nc2ccc(C#N)cc2)c2c1C[C@@H](N(C)C(=O)C(F)(F)F)CC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.51
QRFPR Q96P65 1/20 0.51
SLC22A12 Q96S37 1/20 0.41
HSD11B1 P28845 1/20 0.40
HSD17B2 P37059 1/20 0.40
ALPL P05186 5/20 0.40
IDH1 O75874 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
TRIM24 O15164 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
KDM1A O60341 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
GLA P06280 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 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
SCHEMBL4519658 0.90 HTR6 (0.52) HTR6QRFPRHSD11B1HSD17B2ALPL
SCHEMBL4508664 0.84 SLC22A12 (0.40) HTR6QRFPRSLC22A12ALPLIDH1
SCHEMBL4518652 0.81 HTR6 (0.50) HTR6QRFPRHSD11B1HSD17B2CYP1A2
SCHEMBL4513894 0.81 HTR6 (0.41) HTR6QRFPRIDH1TRIM24MEN1
SCHEMBL4513888 0.81 HTR6 (0.41) HTR6QRFPRIDH1TRIM24MEN1
SCHEMBL4514473 0.80 HTR6 (0.46) HTR6QRFPRSLC22A12HSD11B1HSD17B2
SCHEMBL4965151 0.78 TP53 (0.41) HTR6QRFPRIDH1
SCHEMBL4504796 0.78 TP53 (0.41) HTR6QRFPRIDH1
SCHEMBL4518671 0.75 HTR6 (0.78) HTR6QRFPRHSD11B1HSD17B2ALPL
SCHEMBL4522186 0.75 SLC22A12 (0.44) HTR6QRFPRSLC22A12HSD11B1HSD17B2

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 HTR6 1/4885QRFPR 79/4885SLC22A12 861/4885

“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.