SCHEMBL4235307

SCHEMBL4235307

COc1ccc(-c2cc(Cl)cc3c2OC(COS(=O)(=O)c2ccc(C)cc2)C3)c(OC)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.36
CTSA P10619 1/20 0.35
POLB P06746 1/20 0.35
MAOB P27338 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34
PLAU P00749 1/20 0.33
BRD4 O60885 1/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
TSHR P16473 2/20 0.33
MAPK1 P28482 2/20 0.33
NPC1 O15118 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CYP19A1 P11511 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
SCHEMBL4236229 0.89 MAPT (0.36) MAPTALDH1A1CTSAPOLBTSHR
SCHEMBL4235890 0.88 KMT2A (0.38) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL4230214 0.87 PRKAB2 (0.41) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL4220347 0.87 CTSA (0.38) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL4226280 0.86 MCOLN3 (0.36) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL4228784 0.86 CYP3A4 (0.41) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL3290147 0.85 ALDH1A1 (0.35) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL4230945 0.85 PRKAB2 (0.38) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL4234327 0.84 AQP1 (0.48) MAPTALDH1A1KMT2ACYP3A4CYP2D6
SCHEMBL4219829 0.83 AQP1 (0.37) MAPTALDH1A1MEN1KMT2AGAA

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 2152/4885ALDH1A1 190/4885KDM4E 2318/4885
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same HTR2C, HTR1A, HTR3A MAPT 2152/4885ALDH1A1 190/4885KDM4E 2318/4885
US-20050261347-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same ADRA2A, HTR2A, ADRA1A MAPT 2170/4885ALDH1A1 283/4885KDM4E 2246/4885

“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.