SCHEMBL4228772

SCHEMBL4228772

Cc1ccc(S(=O)(=O)OCC2Cc3cc(-c4ccccc4C)cc(F)c3O2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
TSHR P16473 2/20 0.35
MAPT P10636 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 3/20 0.34
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34
PRKAG2 Q9UGJ0 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
VDR P11473 1/20 0.34
CA2 P00918 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 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
SCHEMBL4225567 0.94 ALDH1A1 (0.35) ALDH1A1CYP3A4CYP2D6TSHRMAPT
SCHEMBL4226061 0.91 AQP1 (0.36) ALDH1A1CYP3A4CYP2D6TSHRMAPT
SCHEMBL4234470 0.91 PTGS2 (0.37) ALDH1A1CYP3A4CYP2D6TSHRMAPT
SCHEMBL4221091 0.90 ALDH1A1 (0.33) ALDH1A1CYP3A4CYP2D6TSHRMAPT
SCHEMBL5005851 0.89 CYP2D6 (0.38) ALDH1A1CYP3A4CYP2D6TSHRMAPT
SCHEMBL4230834 0.86 MAPT (0.35) ALDH1A1CYP3A4CYP2D6TSHRMAPT
SCHEMBL4230436 0.86 CYP2D6 (0.36) ALDH1A1CYP3A4CYP2D6TSHRMAPT
SCHEMBL4230164 0.85 MAPT (0.36) ALDH1A1CYP3A4CYP2D6TSHRMAPT
SCHEMBL4229947 0.85 AQP1 (0.40) ALDH1A1CYP3A4CYP2D6TSHRMAPT
SCHEMBL4230753 0.85 ALDH1A1 (0.36) ALDH1A1CYP3A4CYP2D6TSHRMAPT

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 ALDH1A1 190/4885CYP3A4 241/4885CYP2D6 162/4885
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same HTR2C, HTR1A, HTR3A ALDH1A1 190/4885CYP3A4 241/4885CYP2D6 162/4885
US-20050261347-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same ADRA2A, HTR2A, ADRA1A ALDH1A1 283/4885CYP3A4 538/4885CYP2D6 238/4885

“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.