SCHEMBL4220162

SCHEMBL4220162

COc1cc2c(c(C(C)(C)C)c1)OC(COS(=O)(=O)c1ccc(C)cc1)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP24A1 Q07973 2/20 0.36
PKM P14618 1/20 0.36
ALDH1A1 P00352 6/20 0.35
CYP3A4 P08684 4/20 0.35
CYP2C9 P11712 3/20 0.35
CYP2C19 P33261 3/20 0.35
MAPT P10636 3/20 0.35
CYP2D6 P10635 2/20 0.35
TSHR P16473 2/20 0.35
MAPK1 P28482 2/20 0.35
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
CYP1A2 P05177 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
RAPGEF4 Q8WZA2 1/20 0.32
KMT2A Q03164 1/20 0.31

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
SCHEMBL4235572 0.87 CYP2D6 (0.35) ALDH1A1CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL4233970 0.86 ALDH1A1 (0.40) CYP24A1PKMALDH1A1CYP3A4CYP2C9
SCHEMBL4229081 0.84 ALDH1A1 (0.36) ALDH1A1CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL4233775 0.82 ALDH1A1 (0.37) CYP24A1PKMALDH1A1CYP3A4CYP2C9
SCHEMBL4226051 0.81 PRKAB2 (0.35) CYP24A1PKMALDH1A1CYP3A4CYP2C9
SCHEMBL4225277 0.81 ALDH1A1 (0.36) CYP24A1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL4228784 0.81 CYP3A4 (0.41) PKMALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL4234479 0.80 CYP3A4 (0.38) ALDH1A1CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL4222464 0.80 MAPT (0.34) CYP24A1PKMALDH1A1CYP3A4CYP2C9
SCHEMBL4225733 0.79 ALDH1A1 (0.39) PKMALDH1A1CYP3A4CYP2C9CYP2C19

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 CYP24A1 691/4885PKM 2134/4885ALDH1A1 190/4885
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same HTR2C, HTR1A, HTR3A CYP24A1 691/4885PKM 2134/4885ALDH1A1 190/4885
US-20050261347-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same ADRA2A, HTR2A, ADRA1A CYP24A1 1135/4885PKM 1588/4885ALDH1A1 283/4885

“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.