SCHEMBL4960403

SCHEMBL4960403

Cc1ccc(S(=O)(=O)OCC2COc3cccc(-c4ccccc4Cl)c3O2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
CA2 P00918 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
FFAR1 O14842 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
TSHR P16473 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
ADRA1D P25100 2/20 0.36
ADRA1A P35348 2/20 0.36
ADRA1B P35368 2/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.35
CYP19A1 P11511 1/20 0.35
VDR P11473 1/20 0.34
PRMT5 O14744 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
SCHEMBL4962952 1.00 LMNA (0.44) LMNACA2SMN1; SMN2FFAR1ALDH1A1
SCHEMBL4962357 0.93 CA2 (0.43) LMNACA2SMN1; SMN2FFAR1ALDH1A1
SCHEMBL4962935 0.92 CA2 (0.44) LMNACA2SMN1; SMN2FFAR1ALDH1A1
SCHEMBL4961338 0.91 LMNA (0.47) LMNACA2SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL6971095 0.91 CA2 (0.54) LMNACA2SMN1; SMN2FFAR1ALDH1A1
SCHEMBL6971100 0.91 CA2 (0.54) LMNACA2SMN1; SMN2FFAR1ALDH1A1
SCHEMBL4962903 0.90 CA2 (0.39) LMNACA2SMN1; SMN2FFAR1ALDH1A1
SCHEMBL4960818 0.90 CA2 (0.39) LMNACA2SMN1; SMN2FFAR1ALDH1A1
SCHEMBL4961229 0.89 LMNA (0.40) LMNACA2SMN1; SMN2FFAR1ALDH1A1
SCHEMBL4963027 0.89 LMNA (0.41) LMNACA2SMN1; SMN2FFAR1ALDH1A1

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 3 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

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 2921/4885CA2 4153/4885SMN1; SMN2 1352/4885

“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.