SCHEMBL4232191

SCHEMBL4232191

Cc1ccc(S(=O)(=O)OCC2Cc3cc(-c4ccccc4)cc(-c4cccc(F)c4)c3O2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
AQP1 P29972 1/20 0.33
KDR P35968 1/20 0.33
HPRT1 P00492 1/20 0.33
CHRM3 P20309 3/20 0.33
ATM Q13315 2/20 0.33
PRKAB2 O43741 2/20 0.32
PRKAG1 P54619 2/20 0.32
PRKAA2 P54646 2/20 0.32
PRKAA1 Q13131 2/20 0.32
PRKAG3 Q9UGI9 2/20 0.32
PRKAG2 Q9UGJ0 2/20 0.32
PRKAB1 Q9Y478 2/20 0.32
MAOB P27338 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
ALDH1A1 P00352 3/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32

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
SCHEMBL4235496 0.92 HPRT1 (0.38) MAPTHPRT1PTGS2
SCHEMBL4226452 0.92 MAOB (0.35) MAPTTP53HPRT1PRKAB2PRKAG1
SCHEMBL4234828 0.91 HPRT1 (0.40) MAPTHPRT1MAOBPRMT5WDR77
SCHEMBL4220573 0.90 HPRT1 (0.42) MAPTHPRT1MAOBPRMT5WDR77
SCHEMBL4230944 0.89 HPRT1 (0.32) MAPTAQP1HPRT1MAOBALDH1A1
SCHEMBL4225812 0.89 GRM5 (0.35) MAPTTP53AQP1HPRT1MAOB
SCHEMBL4231550 0.89 PRKAB2 (0.43) MAPTTP53KDRCHRM3ATM
SCHEMBL4220582 0.88 ALKBH3 (0.39) MAPTTP53PRKAB2PRKAG1PRKAA2
SCHEMBL4220957 0.88 HPRT1 (0.34) MAPTTP53HPRT1PRKAB2PRKAG1
SCHEMBL4230164 0.88 MAPT (0.36) MAPTTP53AQP1KDRATM

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-20090082434-A1 Dihydrobenzofuranyl Alkanamine Derivatives and Methods for Using Same WYETH (US) 2009-03-26 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-20090082434-A1 Dihydrobenzofuranyl Alkanamine Derivatives and Methods for Using Same HTR2C, HTR1A, HTR3A MAPT 2152/4885TP53 4622/4885AQP1 1105/4885

“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.