SCHEMBL4961069

SCHEMBL4961069

COc1cccc(-c2cc(Cl)cc3c2O[C@@H](COS(=O)(=O)c2ccc(C)cc2)CO3)c1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 9/20 0.37
ADRA1A P35348 9/20 0.37
ADRA1B P35368 9/20 0.37
LMNA P02545 2/20 0.35
PKM P14618 1/20 0.34
TSHR P16473 1/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34
TUBA3E Q6PEY2 1/20 0.34
TUBA1A Q71U36 1/20 0.34
TUBA1C Q9BQE3 1/20 0.34
TUBB6 Q9BUF5 1/20 0.34
TUBB2B Q9BVA1 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
SCHEMBL4962556 0.92 LMNA (0.38) ADRA1DADRA1AADRA1BLMNATSHR
SCHEMBL4960706 0.89 ADRA1D (0.43) ADRA1DADRA1AADRA1BLMNAPKM
SCHEMBL4961834 0.88 MCOLN3 (0.36) ADRA1DADRA1AADRA1BLMNATSHR
SCHEMBL4961086 0.88 NR3C1 (0.35) LMNATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4961229 0.87 LMNA (0.40) LMNAPKMTSHRSMN1; SMN2
SCHEMBL4960894 0.86 LMNA (0.41) LMNAPKMTSHRSMN1; SMN2
SCHEMBL4230945 0.86 PRKAB2 (0.38) LMNATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4959904 0.85 LMNA (0.41) LMNAPKMTSHRSMN1; SMN2
SCHEMBL4961713 0.84 HTT (0.38) ADRA1DADRA1AADRA1BLMNASMN1; SMN2
SCHEMBL4961703 0.84 LMNA (0.39) LMNATSHRSMN1; SMN2

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 ADRA1D 21/4885ADRA1A 37/4885ADRA1B 42/4885

“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.