SCHEMBL3293265

SCHEMBL3293265

Cc1ccc(S(=O)(=O)OCC(O)Cc2cc(Cl)c3ccccc3c2OCc2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.36
ALDH1A1 P00352 8/20 0.36
LMNA P02545 4/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ADAMTS5 Q9UNA0 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
SLC2A1 P11166 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
PIR O00625 1/20 0.34

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
SCHEMBL3295096 0.84 HTT (0.41) ARALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL3289603 0.83 MEN1 (0.40) ALDH1A1KMT2ACYP1A2CYP2C19SLC2A1
SCHEMBL3294424 0.81 LMNA (0.37) ARALDH1A1LMNASMN1; SMN2CYP1A2
SCHEMBL4226579 0.81 AR (0.39) ARALDH1A1LMNACYP1A2CYP2C19
SCHEMBL3290572 0.78 GAA (0.35) ARALDH1A1LMNAKMT2AKEAP1
SCHEMBL3295478 0.78 HPD (0.36) ARALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL3291657 0.77 GLRA1 (0.37) ALDH1A1LMNAKMT2ASMN1; SMN2SLC2A1
SCHEMBL7933300 0.77 GAA (0.49) ALDH1A1LMNAKMT2ACYP1A2
SCHEMBL21378598 0.77 GAA (0.49) ALDH1A1LMNAKMT2ACYP1A2
SCHEMBL7925816 0.77 GAA (0.49) ALDH1A1LMNAKMT2ACYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728155-B2 Dihydrobenzofuranyl alkanamines and methods for using same as cns agents WYETH LLC (US) 2010-06-01 US disclosed
EP-1675842-A1 DIHYDROBENZOFURANYL ALKANAMINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Wyeth (US) 2006-07-05 EP disclosed
US-20050124692-A1 Dihydrobenzofuranyl alkanamines and methods for using same as cns agents WYETH (US) 2005-06-09 US disclosed
WO-2005040146-A1 DIHYDROBENZOFURANYL ALKANAMINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM WYETH (US) 2005-05-06 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 (1 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-20050124692-A1 Dihydrobenzofuranyl alkanamines and methods for using same as cns agents HTR2C, HTR1A, HTR1B AR 1120/4885ALDH1A1 185/4885LMNA 3941/4885

“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.