SCHEMBL4236229

SCHEMBL4236229

COc1ccccc1-c1cc(Cl)cc2c1OC(COS(=O)(=O)c1ccc(C)cc1)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAG3 Q9UGI9 1/20 0.35
PRKAG2 Q9UGJ0 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35
VDR P11473 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CTSA P10619 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
HTR7 P34969 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33

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
SCHEMBL4230945 0.92 PRKAB2 (0.38) MAPTSMN1; SMN2PRKAB2PRKAG1PRKAA2
SCHEMBL4235890 0.91 KMT2A (0.38) MAPTTSHRSMN1; SMN2ALDH1A1MCOLN3
SCHEMBL4219062 0.91 TSHR (0.38) MAPTTSHRSMN1; SMN2PRKAB2PRKAG1
SCHEMBL4234479 0.90 CYP3A4 (0.38) MAPTTSHRSMN1; SMN2PRKAB2PRKAG1
SCHEMBL4230051 0.90 ALDH1A1 (0.36) MAPTTSHRVDRALDH1A1
SCHEMBL4225513 0.89 AQP1 (0.37) MAPTTSHRVDRALDH1A1
SCHEMBL4235307 0.89 MAPT (0.38) MAPTTSHRSMN1; SMN2ALDH1A1CTSA
SCHEMBL4230767 0.89 AQP1 (0.38) MAPTTSHRSMN1; SMN2PRKAB2PRKAG1
SCHEMBL4232703 0.88 ITGB1 (0.37) MAPTTSHRSMN1; SMN2PRKAB2PRKAG1
SCHEMBL4220444 0.88 AQP1 (0.36) MAPTTSHRPRKAB2PRKAG1PRKAA2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090082434-A1 Dihydrobenzofuranyl Alkanamine Derivatives and Methods for Using Same WYETH (US) 2009-03-26 US disclosed
US-7435837-B2 Dihydrobenzofuranyl alkanamine derivatives and methods for using same WYETH (US) 2008-10-14 US disclosed
EP-1874750-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth Incoporated (US) 2008-01-09 EP disclosed
EP-1675840-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth a Corporation of the State of Delaware (US) 2006-07-05 EP disclosed
US-20050261347-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same WYETH (US) 2005-11-24 US disclosed
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same WYETH (US) 2005-06-30 US disclosed
WO-2005044812-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH A CORPORATION OF THE STATE OF DELAWARE (US) 2005-05-19 WO 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-20090082434-A1 Dihydrobenzofuranyl Alkanamine Derivatives and Methods for Using Same HTR2C, HTR1A, HTR3A MAPT 2152/4885TSHR 441/4885SMN1; SMN2 1499/4885
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same HTR2C, HTR1A, HTR3A MAPT 2152/4885TSHR 441/4885SMN1; SMN2 1499/4885
US-20050261347-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same ADRA2A, HTR2A, ADRA1A MAPT 2170/4885TSHR 200/4885SMN1; SMN2 1951/4885

“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.