SCHEMBL3294579

SCHEMBL3294579

Cc1ccc(S(=O)(=O)OCC2Cc3ccc4ccccc4c3O2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 10/20 0.42
NFKB2 Q00653 10/20 0.42
RELA Q04206 10/20 0.42
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
TSHR P16473 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
HKDC1 Q2TB90 1/20 0.37
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
HSP90AA1 P07900 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
SCHEMBL6751041 0.90 NFKB1 (0.51) NFKB1NFKB2RELAALDH1A1CYP3A4
SCHEMBL6751036 0.90 NFKB1 (0.51) NFKB1NFKB2RELAALDH1A1CYP3A4
SCHEMBL4220254 0.87 CA2 (0.39) MEN1POLBHTTKMT2ASMN1; SMN2
SCHEMBL3293134 0.82 ALDH1A1 (0.35) MEN1KMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL8127358 0.82 LMNA (0.44) MEN1POLBHTTKMT2ASMN1; SMN2
SCHEMBL9375731 0.82 ALDH1A1 (0.39) MEN1KMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL4225595 0.81 PRKAB2 (0.41) HTTSMN1; SMN2ALDH1A1CYP3A4TSHR
SCHEMBL4227006 0.80 CA2 (0.38) KMT2AALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL9373240 0.80 ALDH1A1 (0.38) MEN1KMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL4226990 0.80 ALDH1A1 (0.41) MEN1HTTKMT2AALDH1A1CYP3A4

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 NFKB1 3154/4885NFKB2 3050/4885RELA 3860/4885

“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.