SCHEMBL4522186

SCHEMBL4522186

COc1ccc(S(=O)(=O)Nc2cccc(C#N)c2)c2c1C[C@@H](N(C)C(=O)C(F)(F)F)CO2

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.44
TP53 P04637 1/20 0.43
HSD11B1 P28845 1/20 0.41
HSD17B2 P37059 1/20 0.41
HTR6 P50406 2/20 0.40
ALPL P05186 1/20 0.40
CPT1A P50416 1/20 0.38
CPT1B Q92523 1/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MCL1 Q07820 1/20 0.37
QRFPR Q96P65 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
TRIM24 O15164 1/20 0.36
FABP4 P15090 1/20 0.36
IDH1 O75874 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
SCHEMBL4508664 0.90 SLC22A12 (0.40) SLC22A12HTR6ALPLLMNAALDH1A1
SCHEMBL4530529 0.89 TP53 (0.47) SLC22A12TP53HSD11B1HSD17B2HTR6
SCHEMBL4527056 0.81 TP53 (0.48) SLC22A12TP53HSD11B1HSD17B2HTR6
SCHEMBL4520157 0.79 HTR6 (0.36) HTR6ALPLQRFPR
SCHEMBL4565082 0.79 HTR6 (0.36) HTR6ALPLQRFPR
SCHEMBL4517560 0.79 HTR6 (0.44) SLC22A12HTR6ALPLLMNAALDH1A1
SCHEMBL4529750 0.78 PKM (0.38) HTR6ALPLKDM4EALDH1A1MEN1
SCHEMBL4514124 0.75 HTR6 (0.46) HSD11B1HSD17B2HTR6LMNAALDH1A1
SCHEMBL4530432 0.75 HTR6 (0.51) SLC22A12HSD11B1HSD17B2HTR6ALPL
SCHEMBL4527771 0.75 MAPT (0.46) TP53HSD11B1HSD17B2ALPLLMNA

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-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

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 SLC22A12 861/4885TP53 4228/4885HSD11B1 2184/4885

“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.