SCHEMBL4716205

SCHEMBL4716205

Cc1ccc(S(=O)(=O)OC[C@@H](O)[C@H](c2ccccc2)N2CCc3cc(NC(=O)c4ccccc4)ccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.46
RAB9A P51151 2/20 0.46
TP53 P04637 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.45
ENPP2 Q13822 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42

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
SCHEMBL4716212 1.00 MAPT (0.46) MAPTRAB9ATP53SMN1; SMN2NPC1
SCHEMBL4716209 1.00 MAPT (0.46) MAPTRAB9ATP53SMN1; SMN2NPC1
SCHEMBL4716889 0.93 MAPT (0.56) MAPTTP53POLBMEN1KMT2A
SCHEMBL4716895 0.93 MAPT (0.56) MAPTTP53POLBMEN1KMT2A
SCHEMBL4716892 0.93 MAPT (0.56) MAPTTP53POLBMEN1KMT2A
SCHEMBL4715312 0.89 MAPT (0.54) MAPTRAB9ATP53NPC1POLB
SCHEMBL4715314 0.89 MAPT (0.54) MAPTRAB9ATP53NPC1POLB
SCHEMBL4715071 0.87 ENPP3 (0.49) MAPTTP53ENPP2MEN1KMT2A
SCHEMBL4715068 0.87 ENPP3 (0.49) MAPTTP53ENPP2MEN1KMT2A
SCHEMBL4715066 0.87 ENPP3 (0.49) MAPTTP53ENPP2MEN1KMT2A

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 MAPT 1848/4885RAB9A 2205/4885TP53 3442/4885

“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.