SCHEMBL4960945

SCHEMBL4960945

Cc1ccc(S(=O)(=O)OCC2Oc3cc(Cl)cc(-c4cc(F)ccc4F)c3O2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
MME P08473 1/20 0.35
ALDH1A1 P00352 3/20 0.35
CNR2 P34972 1/20 0.34
PSEN1 P49768 5/20 0.33
PSEN2 P49810 5/20 0.33
APH1B Q8WW43 5/20 0.33
NCSTN Q92542 5/20 0.33
APH1A Q96BI3 5/20 0.33
PSENEN Q9NZ42 5/20 0.33
MAOB P27338 3/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
TSHR P16473 2/20 0.32
MAPT P10636 2/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPK1 P28482 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL4961625 0.90 HSP90AA1 (0.36) HSP90AA1HSP90AB1MMEALDH1A1CYP3A4
SCHEMBL4962459 0.85 AQP1 (0.34) MMEALDH1A1CNR2CYP3A4CYP2D6
SCHEMBL4961770 0.85 KMT2A (0.34) MMEALDH1A1PSEN1PSEN2APH1B
SCHEMBL4965364 0.85 VDR (0.36) ALDH1A1CYP3A4CYP2D6TSHRMAPT
SCHEMBL4960468 0.84 PTGDR2 (0.36) MMEALDH1A1PSEN1PSEN2APH1B
SCHEMBL4960446 0.84 PTGDR2 (0.35) MMEALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL4962402 0.84 VDR (0.35) ALDH1A1CYP3A4CYP2D6TSHRMAPT
SCHEMBL4962224 0.84 VDR (0.35) ALDH1A1MAOBCYP3A4CYP2D6TSHR
SCHEMBL4961199 0.83 MAPT (0.37) ALDH1A1TSHRMAPTLMNAHTT
SCHEMBL4961001 0.83 AQP1 (0.42) MMEALDH1A1CNR2MAOBCYP3A4

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 HSP90AA1 1598/4885HSP90AB1 1540/4885MME 3395/4885

“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.