SCHEMBL3295478

SCHEMBL3295478

Cc1ccc(S(=O)(=O)OCC(O)Cc2c(Cl)cc3c(c2OCc2ccccc2)CCC3)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPD P32754 1/20 0.36
ALDH1A1 P00352 10/20 0.36
LMNA P02545 3/20 0.36
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP7 P09237 1/20 0.34
MMP9 P14780 1/20 0.34
MMP12 P39900 1/20 0.34
MMP14 P50281 1/20 0.34
MMP15 P51511 1/20 0.34
MMP16 P51512 1/20 0.34
MMP26 Q9NRE1 1/20 0.34
KMT2A Q03164 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
AR P10275 1/20 0.34
NLRP3 Q96P20 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
SCHEMBL3289637 0.82 NLRP3 (0.38) ALDH1A1LMNASMN1; SMN2NLRP3
SCHEMBL3294424 0.81 LMNA (0.37) HPDALDH1A1LMNASMN1; SMN2MMP1
SCHEMBL3293273 0.80 HPD (0.38) HPDSMN1; SMN2KMT2AMAOAMAOB
SCHEMBL3293265 0.78 AR (0.36) ALDH1A1LMNACRHBPCRHR2SMN1; SMN2
SCHEMBL3295096 0.75 HTT (0.41) ALDH1A1LMNASMN1; SMN2KMT2AAR
SCHEMBL7925816 0.73 GAA (0.49) ALDH1A1LMNAKMT2A
SCHEMBL21378598 0.73 GAA (0.49) ALDH1A1LMNAKMT2A
SCHEMBL7933300 0.73 GAA (0.49) ALDH1A1LMNAKMT2A
SCHEMBL4226579 0.73 AR (0.39) ALDH1A1LMNAAR
SCHEMBL27642845 0.72 HPD (0.40) HPDALDH1A1SMN1; SMN2KMT2AMAOA

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 HPD 1403/4885ALDH1A1 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.