SCHEMBL4082022

SCHEMBL4082022

Cc1ccc(S(=O)(=O)OC[C@@H](O)[C@H](c2cccc(F)c2)n2cc(-c3ccccc3F)c3ccccc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 18/20 0.48
SLC6A4 P31645 13/20 0.48
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL4082017 1.00 SLC6A2 (0.48) SLC6A2SLC6A4TP53MAPTSMN1; SMN2
SCHEMBL4084140 0.92 SLC6A2 (0.47) SLC6A2SLC6A4TP53MAPTSMN1; SMN2
SCHEMBL4084144 0.92 SLC6A2 (0.47) SLC6A2SLC6A4TP53MAPTSMN1; SMN2
SCHEMBL4077156 0.92 SLC6A2 (0.49) SLC6A2SLC6A4TP53MAPTSMN1; SMN2
SCHEMBL4077161 0.92 SLC6A2 (0.49) SLC6A2SLC6A4TP53MAPTSMN1; SMN2
SCHEMBL4079806 0.91 SLC6A2 (0.46) SLC6A2SLC6A4TP53MAPTSMN1; SMN2
SCHEMBL4079810 0.91 SLC6A2 (0.46) SLC6A2SLC6A4TP53MAPTSMN1; SMN2
SCHEMBL4078702 0.91 SLC6A2 (0.49) SLC6A2SLC6A4TP53MAPTSMN1; SMN2
SCHEMBL4088846 0.91 SLC6A2 (0.49) SLC6A2SLC6A4TP53MAPTSMN1; SMN2
SCHEMBL4078700 0.91 SLC6A2 (0.49) SLC6A2SLC6A4TP53MAPTSMN1; SMN2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099164-A1 Phenylaminopropanol Derivatives and Methods of Their Use WYETH (US) 2009-04-16 US disclosed
US-7517899-B2 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2009-04-14 US disclosed
US-20090093469-A1 Phenylaminopropanol Derivatives and Methods of Their Use WYETH (US) 2009-04-09 US disclosed
EP-1732887-B1 1-(1H-INDOL-1-YL)-3-(4-METHYLPIPERAZIN-1-YL)-1-PHENYL PROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE NOREPINEPHRINE (NE) AND THE SEROTONINE (5-HT) ACTIVITY AND THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) WYETH CORP (US) 2008-01-09 EP disclosed
EP-1732887-A1 1-(1H-INDOL-1-YL)-3-(4-METHYLPIPERAZIN-1-YL)-1-PHENYL PROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE NOREPINEPHRINE (NE) AND THE SEROTONINE (5-HT) ACTIVITY AND THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) Wyeth (US) 2006-12-20 EP disclosed
WO-2005097744-A1 1-(1H-INDOL-1-YL)-3-(4-METHYLPIPERAZIN-1-YL)-1-PHENYL PROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE NOREPINEPHRINE (NE) AND THE SEROTONINE (5-HT) ACTIVITY AND THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) WYETH (US) 2005-10-20 WO disclosed
US-20050222148-A1 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2005-10-06 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 (3 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-20090099164-A1 Phenylaminopropanol Derivatives and Methods of Their Use PAH, PNMT, COMT SLC6A2 8/4885SLC6A4 13/4885TP53 4041/4885
US-20050222148-A1 Phenylaminopropanol derivatives and methods of their use PAH, PNMT, COMT SLC6A2 8/4885SLC6A4 13/4885TP53 4041/4885
US-20090093469-A1 Phenylaminopropanol Derivatives and Methods of Their Use PAH, PNMT, COMT SLC6A2 8/4885SLC6A4 13/4885TP53 4041/4885

“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.