SCHEMBL4077149

SCHEMBL4077149

OC[C@H]1O[C@@H]1c1cccc(OC(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 8/20 0.46
CETP P11597 3/20 0.38
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
LGALS3 P17931 3/20 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
SCHEMBL4086313 0.83 SLC5A2 (0.40) SLC5A2
SCHEMBL4077148 0.80 SLC5A2 (0.52) SLC5A2LGALS3
SCHEMBL8974437 0.78 KIF11 (0.41) CETP
SCHEMBL9377705 0.76 HTR2C (0.47) SLC5A2
SCHEMBL4717027 0.74 SLC5A2 (0.50) SLC5A2
SCHEMBL4087278 0.74 SLC5A2 (0.50) SLC5A2
SCHEMBL4986893 0.74 SLC5A2 (0.50) SLC5A2
SCHEMBL13245435 0.72 SLC5A2 (0.47) SLC5A2
SCHEMBL8768492 0.71 TSHR (0.44) CETP
SCHEMBL7137636 0.70 SLC5A2 (0.46) SLC5A2

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 4 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
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 SLC5A2 80/4885CETP 3848/4885CHRM2 1060/4885
US-20050222148-A1 Phenylaminopropanol derivatives and methods of their use PAH, PNMT, COMT SLC5A2 80/4885CETP 3848/4885CHRM2 1060/4885
US-20090093469-A1 Phenylaminopropanol Derivatives and Methods of Their Use PAH, PNMT, COMT SLC5A2 80/4885CETP 3848/4885CHRM2 1060/4885

“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.