SCHEMBL4230146

SCHEMBL4230146

Cc1ccc(S(=O)(=O)OCC2Cc3cc(C)cc(-c4ccc(Cl)cc4)c3O2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
TSHR P16473 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPK1 P28482 1/20 0.34
MAOA P21397 1/20 0.34
AQP1 P29972 2/20 0.34
FFAR4 Q5NUL3 1/20 0.33
PTGS2 P35354 4/20 0.33
MME P08473 1/20 0.33
BRD4 O60885 1/20 0.33
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
PTGS1 P23219 2/20 0.32

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
SCHEMBL4224911 0.95 ALDH1A1 (0.37) MAPTALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL4221878 0.90 PTGS2 (0.37) MAPTSMN1; SMN2ALDH1A1CYP3A4CYP2D6
SCHEMBL4224570 0.89 PTGS2 (0.36) MAPTMEN1KMT2AALDH1A1CYP3A4
SCHEMBL4233443 0.89 HPRT1 (0.38) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL4235892 0.89 GRM5 (0.37) MAPTALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL4225733 0.89 ALDH1A1 (0.39) MAPTKMT2ASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL4230665 0.88 PRKAB2 (0.39) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL4236010 0.88 AQP1 (0.48) MAPTKMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL4225686 0.88 AQP1 (0.39) MAPTKMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL4221883 0.87 PTGS1 (0.35) MAPTALDH1A1CYP3A4CYP2D6TSHR

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 6 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-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 2152/4885MEN1 4338/4885KMT2A 2254/4885
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same HTR2C, HTR1A, HTR3A MAPT 2152/4885MEN1 4338/4885KMT2A 2254/4885
US-20050261347-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same ADRA2A, HTR2A, ADRA1A MAPT 2170/4885MEN1 3860/4885KMT2A 506/4885

“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.