SCHEMBL4176989

SCHEMBL4176989

COc1ccc(S(=O)(=O)N(CCN(C2CC2)S(=O)(=O)c2ccc(OC)c(OC)c2)C(C)C)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ DRD2 P14416 1/20 0.49
▸ ADRA1D P25100 1/20 0.49
▸ ADRA1A P35348 1/20 0.49
▸ ADRA1B P35368 1/20 0.49
▸ HIF1A Q16665 10/20 0.48
▸ EPAS1 Q99814 9/20 0.48
▸ EP300 Q09472 2/20 0.48
▸ MAPK1 P28482 1/20 0.47
▸ PDE4A P27815 2/20 0.46
▸ PDE4B Q07343 2/20 0.46
▸ PDE4C Q08493 2/20 0.46
▸ PDE4D Q08499 2/20 0.46
▸ USP2 O75604 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL4191273 0.85 TSHR (0.52) TSHRHTTSMN1; SMN2TDP1DRD2
SCHEMBL4187429 0.83 TSHR (0.56) TSHRHTTSMN1; SMN2TDP1DRD2
SCHEMBL10633376 0.82 POLB (0.50) TSHRHTTSMN1; SMN2HIF1AEPAS1
SCHEMBL4184689 0.80 KMT2A (0.55) TSHRHTTSMN1; SMN2TDP1HIF1A
SCHEMBL10633295 0.76 TRPV4 (0.50) TSHRHTTSMN1; SMN2HIF1AEPAS1
SCHEMBL10633354 0.74 KMT2A (0.48) TSHRHTTSMN1; SMN2HIF1AEPAS1
SCHEMBL4187969 0.71 POLB (0.56) TSHRSMN1; SMN2HIF1AEP300MAPK1
SCHEMBL4184190 0.71 POLB (0.56) TSHRSMN1; SMN2HIF1AEP300MAPK1
SCHEMBL4184653 0.71 POLB (0.56) TSHRSMN1; SMN2HIF1AEP300MAPK1
SCHEMBL4187420 0.71 POLB (0.58) TSHRHTTSMN1; SMN2HIF1AEPAS1

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
US-20090069302-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-03-12 — — US disclosed
US-20090069302-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-03-12 — — US disclosed
WO-2007127505-A2 USE OF SULFONAMIDE DERIVATIVES IN THE TREATMENT OF DISORDERS OF THE METABOLISM AND THE NERVOUS SYSTEM SMITHKLINE BEECHAM CORPORATION (US) 2007-11-08 — — 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-20090069302-A1 CHEMICAL COMPOUNDS TBXA2R, PDE4D, PDE4A TSHR 576/4885HTT 935/4885SMN1; SMN2 1624/4885

“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.

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