SCHEMBL4719306

SCHEMBL4719306

Cc1ccc(S(=O)(=O)OC[C@@H](O)[C@H](c2ccccc2)n2ccc3cccc(-c4ccccc4)c32)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.39
SLC6A2 P23975 11/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
PKM P14618 1/20 0.35
DHODH Q02127 1/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 2/20 0.35
MAPK1 P28482 1/20 0.35
VDR P11473 1/20 0.34
PTGS2 P35354 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL4719302 1.00 SLC6A4 (0.39) SLC6A4SLC6A2ALDH1A1KDM4EHPGD
SCHEMBL4081088 0.89 SLC6A4 (0.46) SLC6A4SLC6A2ALDH1A1KDM4EHPGD
SCHEMBL4081087 0.89 SLC6A4 (0.46) SLC6A4SLC6A2ALDH1A1KDM4EHPGD
SCHEMBL4082271 0.87 SLC6A4 (0.39) SLC6A4SLC6A2
SCHEMBL4082270 0.87 SLC6A4 (0.39) SLC6A4SLC6A2
SCHEMBL4721062 0.85 L3MBTL1 (0.40) SLC6A4SLC6A2ALDH1A1PKMMAPT
SCHEMBL4721063 0.85 L3MBTL1 (0.40) SLC6A4SLC6A2ALDH1A1PKMMAPT
SCHEMBL4081738 0.84 SLC6A4 (0.56) SLC6A4SLC6A2
SCHEMBL4719520 0.84 LMNA (0.39) SLC6A4SLC6A2ALDH1A1KDM4EHPGD
SCHEMBL4719522 0.84 LMNA (0.39) SLC6A4SLC6A2ALDH1A1KDM4EHPGD

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 8/4885ALDH1A1 391/4885

“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.