SCHEMBL4715950

SCHEMBL4715950

Cc1ccc(S(=O)(=O)OC[C@@H](O)[C@H](c2ccccc2)n2ccc3cc(Oc4ccccc4)ccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 14/20 0.50
SLC6A2 P23975 13/20 0.50
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PPARG P37231 1/20 0.37
CYP2C9 P11712 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL4715949 1.00 SLC6A4 (0.50) SLC6A4SLC6A2HTTSMN1; SMN2PPARG
SCHEMBL4080511 0.92 SLC6A4 (0.61) SLC6A4SLC6A2PPARGL3MBTL1
SCHEMBL4086956 0.92 SLC6A4 (0.61) SLC6A4SLC6A2PPARGL3MBTL1
SCHEMBL4088904 0.91 SLC6A4 (0.48) SLC6A4SLC6A2PPARG
SCHEMBL4088906 0.91 SLC6A4 (0.48) SLC6A4SLC6A2PPARG
SCHEMBL4719351 0.89 SLC6A4 (0.48) SLC6A4SLC6A2
SCHEMBL4716915 0.89 SLC6A4 (0.48) SLC6A4SLC6A2
SCHEMBL4716916 0.89 SLC6A4 (0.48) SLC6A4SLC6A2
SCHEMBL4076957 0.87 SLC6A4 (0.58) SLC6A4SLC6A2
SCHEMBL4076959 0.87 SLC6A4 (0.58) SLC6A4SLC6A2

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 8/4885HTT 1526/4885

“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.