SCHEMBL4520236

SCHEMBL4520236

COc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)c2c1C[C@@H](NC(=O)O)CO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
PI4KB Q9UBF8 1/20 0.41
TRIM24 O15164 1/20 0.40
IDH1 O75874 5/20 0.40
MOGAT2 Q3SYC2 1/20 0.40
AVPR2 P30518 1/20 0.39
GPR27 Q9NS67 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
GLA P06280 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
GAA P10253 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
SCHEMBL4523963 0.92 MEN1 (0.44) MEN1KMT2AALOX15MAPK1PI4KB
SCHEMBL13889137 0.91 MEN1 (0.42) MEN1KMT2AALOX15MAPK1PI4KB
SCHEMBL4530996 0.90 MAPT (0.48) MEN1KMT2AMAPK1IDH1CYP1A2
SCHEMBL4512924 0.89 MEN1 (0.47) MEN1KMT2AALOX15MAPK1PI4KB
SCHEMBL4513550 0.89 FABP4 (0.44) MEN1KMT2AALDH1A1CYP1A2GLA
SCHEMBL4527582 0.88 IDH1 (0.44) PI4KBIDH1GAAFABP4ALPL
SCHEMBL4512345 0.84 FABP4 (0.41) MEN1KMT2AAVPR2GPR27ALDH1A1
SCHEMBL4520216 0.84 MEN1 (0.48) MEN1KMT2AALOX15MAPK1PI4KB
SCHEMBL4510226 0.84 MALT1 (0.42) KMT2AALDH1A1GAA
SCHEMBL4522968 0.83 IDH1 (0.40) MEN1KMT2AIDH1ALDH1A1CYP1A2

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 1 patent. 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

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 MEN1 2169/4885KMT2A 2712/4885ALOX15 3096/4885

“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.