SCHEMBL4715071

SCHEMBL4715071

Cc1ccc(S(=O)(=O)OCC(O)C(c2ccccc2)N2CCc3cc(NC(=O)C4CCCCC4)ccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 5/20 0.49
ENPP1 P22413 5/20 0.49
ENPP2 Q13822 4/20 0.49
THRB P10828 1/20 0.45
ALDH1A1 P00352 2/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL4715068 1.00 ENPP3 (0.49) ENPP3ENPP1ENPP2THRBALDH1A1
SCHEMBL4715066 1.00 ENPP3 (0.49) ENPP3ENPP1ENPP2THRBALDH1A1
SCHEMBL4716205 0.87 MAPT (0.46) ENPP2ALDH1A1MAPTTP53MEN1
SCHEMBL4716212 0.87 MAPT (0.46) ENPP2ALDH1A1MAPTTP53MEN1
SCHEMBL4716209 0.87 MAPT (0.46) ENPP2ALDH1A1MAPTTP53MEN1
SCHEMBL4716255 0.84 NPY2R (0.47) ALDH1A1MAPTLMNAGAAMEN1
SCHEMBL4720462 0.82 ENPP3 (0.47) ENPP3ENPP1ENPP2ALDH1A1MAPT
SCHEMBL4720465 0.82 ENPP3 (0.47) ENPP3ENPP1ENPP2ALDH1A1MAPT
SCHEMBL5480697 0.82 SLC6A2 (0.59) ALDH1A1LMNA
SCHEMBL4716139 0.82 SLC6A2 (0.59) ALDH1A1LMNA

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 ENPP3 1263/4885ENPP1 1794/4885ENPP2 1628/4885

“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.