SCHEMBL4718277

SCHEMBL4718277

Cc1ccc(S(=O)(=O)OCC(O)C(c2ccccc2)n2ccc3cc(C)nc(Cl)c32)cc1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 15/20 0.37
SLC6A2 P23975 14/20 0.37
HPGD P15428 1/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 0.33
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 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
SCHEMBL5476112 1.00 SLC6A4 (0.37) SLC6A4SLC6A2HPGDPKMKMT2A
SCHEMBL5480638 0.91 SLC6A2 (0.45) SLC6A4SLC6A2
SCHEMBL5480640 0.91 SLC6A2 (0.45) SLC6A4SLC6A2
SCHEMBL5484836 0.90 SLC6A4 (0.36) SLC6A4SLC6A2PKML3MBTL1
SCHEMBL4718224 0.90 SLC6A4 (0.36) SLC6A4SLC6A2PKML3MBTL1
SCHEMBL4719867 0.87 SLC6A4 (0.37) SLC6A4SLC6A2PKM
SCHEMBL5484992 0.87 SLC6A4 (0.37) SLC6A4SLC6A2PKM
SCHEMBL4079167 0.87 SLC6A4 (0.36) SLC6A4SLC6A2PKMHTT
SCHEMBL4079165 0.87 SLC6A4 (0.36) SLC6A4SLC6A2PKMHTT
SCHEMBL4088906 0.83 SLC6A4 (0.48) SLC6A4SLC6A2PKM

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 SLC6A4 16/4885SLC6A2 8/4885HPGD 583/4885

“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.