SCHEMBL4871208

SCHEMBL4871208

Cc1ccc(S(=O)(=O)OCC(O)C(c2ccccc2)n2ccc3cc(NC(=O)c4ccccc4)ccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 12/20 0.42
SLC6A4 P31645 12/20 0.42
PPARG P37231 1/20 0.42
ENPP2 Q13822 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
STAT3 P40763 2/20 0.39
MMP9 P14780 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.37
SIRT5 Q9NXA8 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL4871187 1.00 SLC6A2 (0.42) SLC6A2SLC6A4PPARGENPP2NPC1
SCHEMBL4871195 1.00 SLC6A2 (0.42) SLC6A2SLC6A4PPARGENPP2NPC1
SCHEMBL4719760 0.93 SLC6A2 (0.45) SLC6A2SLC6A4PPARGENPP2NPC1
SCHEMBL4719765 0.93 SLC6A2 (0.45) SLC6A2SLC6A4PPARGENPP2NPC1
SCHEMBL4719767 0.93 SLC6A2 (0.45) SLC6A2SLC6A4PPARGENPP2NPC1
SCHEMBL4717325 0.91 PPARG (0.41) SLC6A2SLC6A4PPARGENPP2MAPT
SCHEMBL4717324 0.91 PPARG (0.41) SLC6A2SLC6A4PPARGENPP2MAPT
SCHEMBL4721654 0.91 PPARG (0.41) SLC6A2SLC6A4PPARGENPP2MAPT
SCHEMBL4791080 0.88 SLC6A2 (0.45) SLC6A2SLC6A4PPARGENPP2MAPT
SCHEMBL4721821 0.88 SLC6A2 (0.45) SLC6A2SLC6A4PPARGENPP2MAPT

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
EP-1931631-A1 1- (1H- INDOL- 1-YL) -3- (METHYLAMINO) -1- PHENYLPROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) Wyeth a Corporation of the State of Delaware (US) 2008-06-18 EP disclosed
WO-2007041023-A1 1- (1H- INDOL- 1-YL) -3- (METHYLAMINO) -1- PHENYLPROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) WYETH (US) 2007-04-12 WO disclosed
US-20070072897-A1 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2007-03-29 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-20070072897-A1 Phenylaminopropanol derivatives and methods of their use COMT, PNMT, GLS SLC6A2 8/4885SLC6A4 16/4885PPARG 498/4885

“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.