SCHEMBL4512114

SCHEMBL4512114

CN[C@H]1COc2c(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)ccc(OC)c2C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
TRPV4 Q9HBA0 2/20 0.47
ALPL P05186 2/20 0.44
HSD11B1 P28845 1/20 0.43
HSD17B2 P37059 1/20 0.43
CDK1 P06493 2/20 0.43
CCNB1 P14635 2/20 0.43
CCNA2 P20248 2/20 0.43
CDK2 P24941 2/20 0.43
CDK7 P50613 2/20 0.43
CCNH P51946 2/20 0.43
CCNA1 P78396 2/20 0.43
CCND1 P24385 1/20 0.43
CDK6 Q00534 1/20 0.43
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
MAPK1 P28482 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL4530996 0.90 MAPT (0.48) MAPTTRPV4ALPLHSD11B1HSD17B2
SCHEMBL4527771 0.89 MAPT (0.46) MAPTTRPV4ALPLHSD11B1HSD17B2
SCHEMBL4512924 0.89 MEN1 (0.47) MAPTALPLMAPK1CYP1A2CYP3A4
SCHEMBL4512520 0.88 MAPT (0.49) MAPTTRPV4ALPLHSD11B1HSD17B2
SCHEMBL13889138 0.87 MAPT (0.46) MAPTTRPV4ALPLHSD11B1HSD17B2
SCHEMBL4516152 0.85 HSD11B1 (0.43) MAPTALPLHSD11B1HSD17B2CYP1A2
SCHEMBL4527056 0.84 TP53 (0.48) MAPTALPLHSD11B1HSD17B2MEN1
SCHEMBL4509228 0.81 HTR6 (0.44) MAPTHSD11B1HSD17B2CDK1CCNB1
SCHEMBL4513583 0.80 TP53 (0.43) MAPTALPLCYP1A2CYP3A4CYP2C19
SCHEMBL4520236 0.78 MEN1 (0.44) ALPLMAPK1CYP1A2CYP3A4CYP2C19

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 8 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 claimed
EP-1888518-A1 NOVEL 8-SULFONYL-3 AMINOSUBSTITUTED CHROMAN OR TETRAHYDRONAPHTALENE DERIVATIVES MODULATING THE 5HT6 RECEPTOR AstraZeneca AB (SE) 2008-02-20 EP claimed
WO-2006126938-A1 NOVEL 8-SULFONYL-3 AMINOSUBSTITUTED CHROMAN OR TETRAHYDRONAPHTALENE DERIVATIVES MODULATING THE 5HT6 RECEPTOR ASTRAZENECA AB (SE) 2006-11-30 WO claimed
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 MAPT 2173/4885TRPV4 466/4885ALPL 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.