SCHEMBL4961003

SCHEMBL4961003

Cc1ccc(S(=O)(=O)OCC2COc3cccc(O)c3O2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
ADRA1D P25100 2/20 0.43
ADRA1A P35348 2/20 0.43
ADRA1B P35368 2/20 0.43
CA2 P00918 4/20 0.41
MEN1 O00255 1/20 0.40
ESR1 P03372 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
ESR2 Q92731 1/20 0.40
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.38
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

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
SCHEMBL7782073 0.90 LMNA (0.48) LMNASMN1; SMN2CA2MEN1KMT2A
SCHEMBL6976444 0.90 LMNA (0.48) LMNASMN1; SMN2CA2MEN1KMT2A
SCHEMBL6976439 0.90 LMNA (0.48) LMNASMN1; SMN2CA2MEN1KMT2A
SCHEMBL5844958 0.87 LMNA (0.46) LMNASMN1; SMN2ADRA1DADRA1AADRA1B
SCHEMBL1021389 0.87 LMNA (0.46) LMNASMN1; SMN2ADRA1DADRA1AADRA1B
SCHEMBL8225934 0.86 LMNA (0.46) LMNASMN1; SMN2ADRA1DADRA1AADRA1B
SCHEMBL21198466 0.86 LMNA (0.46) LMNASMN1; SMN2ADRA1DADRA1AADRA1B
SCHEMBL4964470 0.86 LMNA (0.46) LMNASMN1; SMN2ADRA1DADRA1AADRA1B
SCHEMBL6971100 0.86 CA2 (0.54) LMNASMN1; SMN2ADRA1DADRA1AADRA1B
SCHEMBL6971095 0.86 CA2 (0.54) LMNASMN1; SMN2ADRA1DADRA1AADRA1B

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
EP-1871759-A1 BENZODIOXANE AND BENZODIOXOLANE DERIVATIVES AND USES THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-01-02 EP disclosed
WO-2006116158-A1 BENZODIOXANE AND BENZODIOXOLANE DERIVATIVES AND USES THEREOF WYETH (US) 2006-11-02 WO disclosed
US-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof WYETH (US) 2006-10-26 US disclosed
EP-0841334-B1 PROCESS FOR PRODUCING 1,4-BENZODIOXANE DERIVATIVES DAISO CO LTD (JP) 2001-10-04 EP disclosed
US-5780650-A Process for preparation of 1,4-benzodioxane derivative DAISO CO., LTD. (JP) 1998-07-14 US disclosed
EP-0841334-A1 PROCESS FOR PRODUCING 1,4-BENZODIOXANE DERIVATIVES DAISO CO., LTD. (JP) 1998-05-13 EP 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-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof HTR2C, HTR1D, HTR1A LMNA 2921/4885SMN1; SMN2 1352/4885ADRA1D 21/4885

“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.