SCHEMBL4512345

SCHEMBL4512345

COc1ccc(S(=O)(=O)Nc2ccccc2)c2c1C[C@@H](NC(=O)C(F)(F)F)CO2

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 7/20 0.41
HSD11B1 P28845 1/20 0.40
HSD17B2 P37059 1/20 0.40
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 2/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
AVPR2 P30518 1/20 0.36
GPR27 Q9NS67 1/20 0.36
MEN1 O00255 1/20 0.36
ALOX12 P18054 1/20 0.36
KMT2A Q03164 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
SCHEMBL4523963 0.91 MEN1 (0.44) FABP4MAPTALDH1A1GLACYP3A4
SCHEMBL4522968 0.91 IDH1 (0.40) MAPTALDH1A1GLACYP3A4CYP2C9
SCHEMBL4527771 0.90 MAPT (0.46) HSD11B1HSD17B2MAPTTSHRLMNA
SCHEMBL4513550 0.89 FABP4 (0.44) FABP4HSD11B1HSD17B2MAPTALDH1A1
SCHEMBL4529640 0.88 TP53 (0.44) FABP4HSD11B1HSD17B2MAPT
SCHEMBL4505898 0.87 MALT1 (0.41) HSD11B1HSD17B2MAPTALDH1A1TSHR
SCHEMBL4961539 0.85 THRB (0.48) FABP4MAPTALDH1A1TSHRLMNA
SCHEMBL13889130 0.85 FABP4 (0.41) FABP4HSD11B1HSD17B2MAPTALDH1A1
SCHEMBL4521563 0.84 MTNR1A (0.36) MAPTCYP2C9LMNA
SCHEMBL4520236 0.84 MEN1 (0.44) FABP4ALDH1A1GLACYP3A4CYP2C9

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 FABP4 4575/4885HSD11B1 2184/4885HSD17B2 2494/4885

“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.