SCHEMBL4226579

SCHEMBL4226579

Cc1ccc(S(=O)(=O)OCC(O)Cc2cccc(Cc3ccccc3)c2OCc2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.39
PTGER4 P35408 3/20 0.38
PTGER3 P43115 3/20 0.38
PTGER2 P43116 3/20 0.38
PTGER1 P34995 1/20 0.38
LMNA P02545 3/20 0.37
PIR O00625 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
RECQL P46063 1/20 0.36
MAPT P10636 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KEAP1 Q14145 2/20 0.35
NFE2L2 Q16236 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL4219189 0.85 ELANE (0.38) LMNAALDH1A1CYP1A2CYP3A4BCHE
SCHEMBL3293265 0.81 AR (0.36) ARLMNAPIRALDH1A1KDM4E
SCHEMBL3294424 0.81 LMNA (0.37) ARLMNAPIRALDH1A1KDM4E
SCHEMBL3295096 0.80 HTT (0.41) ARLMNAALDH1A1KDM4EHPGD
SCHEMBL7925816 0.80 GAA (0.49) LMNAALDH1A1CYP1A2CYP3A4BCHE
SCHEMBL21378598 0.80 GAA (0.49) LMNAALDH1A1CYP1A2CYP3A4BCHE
SCHEMBL7933300 0.80 GAA (0.49) LMNAALDH1A1CYP1A2CYP3A4BCHE
SCHEMBL4223480 0.77 KEAP1 (0.42) ARLMNAPIRALDH1A1KDM4E
SCHEMBL11686413 0.77 AR (0.55) ARPIRALDH1A1MAPTCYP1A2
SCHEMBL7429844 0.77 AR (0.55) ARPIRALDH1A1MAPTCYP1A2

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 AR 943/4885PTGER4 489/4885PTGER3 529/4885
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same HTR2C, HTR1A, HTR3A AR 943/4885PTGER4 489/4885PTGER3 529/4885
US-20050261347-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same ADRA2A, HTR2A, ADRA1A AR 198/4885PTGER4 544/4885PTGER3 321/4885

“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.