SCHEMBL4174504

SCHEMBL4174504

COc1ccc(S(=O)(=O)N(C)CCN(C)S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.61
▸ L3MBTL1 Q9Y468 3/20 0.61
▸ HTT P42858 2/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.61
▸ MAPT P10636 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ HPGD P15428 1/20 0.55
▸ LMNA P02545 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ PDE4D Q08499 2/20 0.47
▸ USP2 O75604 2/20 0.47
▸ HSP90AA1 P07900 1/20 0.47
▸ HSP90AB1 P08238 1/20 0.47
▸ SIGMAR1 Q99720 1/20 0.47
▸ PKM P14618 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ TSHR P16473 1/20 0.44

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
SCHEMBL4190652 0.95 ALDH1A1 (0.67) ALDH1A1L3MBTL1HTTSMN1; SMN2MAPT
SCHEMBL4176914 0.83 PDE4D (0.61) ALDH1A1L3MBTL1HTTSMN1; SMN2MAPT
SCHEMBL4181929 0.81 ALDH1A1 (0.49) ALDH1A1L3MBTL1HTTSMN1; SMN2MAPT
SCHEMBL4194071 0.77 PDE4D (0.58) ALDH1A1HTTSMN1; SMN2MAPTKMT2A
SCHEMBL7205749 0.76 PDE4D (0.57) ALDH1A1L3MBTL1HTTSMN1; SMN2MAPT
SCHEMBL4187978 0.76 PDE4D (0.54) ALDH1A1L3MBTL1HTTSMN1; SMN2MAPT
SCHEMBL4190701 0.76 PDE4D (0.54) ALDH1A1L3MBTL1HTTSMN1; SMN2MAPT
SCHEMBL4186845 0.75 PKM (0.76) ALDH1A1L3MBTL1HTTMAPTKMT2A
SCHEMBL4191273 0.74 TSHR (0.52) ALDH1A1HTTSMN1; SMN2HSD17B10LMNA
SCHEMBL7204075 0.74 PDE4D (0.55) ALDH1A1L3MBTL1HTTMAPTKMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069302-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-03-12 — — US claimed
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
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 ALDH1A1 669/4885L3MBTL1 4391/4885HTT 935/4885

“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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