SCHEMBL4229947

SCHEMBL4229947

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 3/20 0.40
ALDH1A1 P00352 4/20 0.36
VDR P11473 1/20 0.34
CYP2D6 P10635 3/20 0.34
CYP3A4 P08684 2/20 0.34
TSHR P16473 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 3/20 0.33
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
MEN1 O00255 2/20 0.32
LMNA P02545 1/20 0.31
CA2 P00918 1/20 0.31
PRKAB2 O43741 1/20 0.31
PRKAG1 P54619 1/20 0.31
PRKAA2 P54646 1/20 0.31
PRKAA1 Q13131 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
SCHEMBL4233543 0.93 AQP1 (0.39) AQP1ALDH1A1VDRCYP2D6CYP3A4
SCHEMBL4230948 0.91 AQP1 (0.47) AQP1ALDH1A1VDRCYP2D6CYP3A4
SCHEMBL4230657 0.91 AQP1 (0.40) AQP1ALDH1A1CYP2D6CYP3A4TSHR
SCHEMBL4230767 0.90 AQP1 (0.38) AQP1ALDH1A1VDRTSHRMAPT
SCHEMBL4234505 0.90 AQP1 (0.40) AQP1ALDH1A1VDRCYP2D6CYP3A4
SCHEMBL4230303 0.90 AQP1 (0.47) AQP1ALDH1A1VDRCYP2D6CYP3A4
SCHEMBL4225503 0.89 AQP1 (0.37) AQP1ALDH1A1VDRCYP2D6CYP3A4
SCHEMBL4230051 0.88 ALDH1A1 (0.36) AQP1ALDH1A1VDRCYP2D6CYP3A4
SCHEMBL4225277 0.88 ALDH1A1 (0.36) ALDH1A1VDRCYP2D6CYP3A4TSHR
SCHEMBL4230089 0.88 AQP1 (0.41) AQP1ALDH1A1CYP2D6CYP3A4TSHR

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 8 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
WO-2007030150-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH (US) 2007-03-15 WO 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 AQP1 1105/4885ALDH1A1 190/4885VDR 720/4885
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same HTR2C, HTR1A, HTR3A AQP1 1105/4885ALDH1A1 190/4885VDR 720/4885
US-20050261347-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same ADRA2A, HTR2A, ADRA1A AQP1 2290/4885ALDH1A1 283/4885VDR 375/4885

“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.