SCHEMBL4718167

SCHEMBL4718167

Cc1ccc(S(=O)(=O)OCC(O)C(c2ccccc2)n2ccc3ccc(OCc4ccccc4)cc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.41
SLC6A2 P23975 11/20 0.41
CD4 P01730 2/20 0.40
AR P10275 1/20 0.40
PIR O00625 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP7 P09237 1/20 0.39
MMP9 P14780 1/20 0.39
MMP12 P39900 1/20 0.39
MMP14 P50281 1/20 0.39
MMP15 P51511 1/20 0.39
MMP16 P51512 1/20 0.39
MMP26 Q9NRE1 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HTR7 P34969 1/20 0.38

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
SCHEMBL4718165 1.00 SLC6A4 (0.41) SLC6A4SLC6A2CD4ARPIR
SCHEMBL4716916 0.93 SLC6A4 (0.48) SLC6A4SLC6A2CD4ARPIR
SCHEMBL4719351 0.93 SLC6A4 (0.48) SLC6A4SLC6A2CD4ARPIR
SCHEMBL4716915 0.93 SLC6A4 (0.48) SLC6A4SLC6A2CD4ARPIR
SCHEMBL4088638 0.89 SLC6A4 (0.51) SLC6A4SLC6A2
SCHEMBL4088636 0.89 SLC6A4 (0.51) SLC6A4SLC6A2
SCHEMBL4086886 0.88 SLC6A4 (0.47) SLC6A4SLC6A2
SCHEMBL4086884 0.88 SLC6A4 (0.47) SLC6A4SLC6A2
SCHEMBL4718303 0.86 SLC6A2 (0.50) SLC6A4SLC6A2MMP1MMP2MMP7
SCHEMBL4718302 0.86 SLC6A2 (0.50) SLC6A4SLC6A2MMP1MMP2MMP7

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 8/4885CD4 3337/4885

“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.