SCHEMBL5239888

SCHEMBL5239888

COc1cccc2c(S(=O)(=O)O)cccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.55
EDNRA P25101 1/20 0.49
MPL P40238 1/20 0.47
CYP1A2 P05177 2/20 0.45
FABP4 P15090 5/20 0.45
HTR6 P50406 1/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPK1 P28482 1/20 0.43
NPC1 O15118 1/20 0.43
SLC2A1 P11166 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.42
ESR1 P03372 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL2567982 0.89 ALDH1A1 (0.55) MPLFABP4ALDH1A1MAPK1NPC1
SCHEMBL13719098 0.87 ALDH1A1 (0.54) MPLFABP4ALDH1A1MAPK1NPC1
SCHEMBL3781603 0.87 ALDH1A1 (0.54) MPLFABP4ALDH1A1MAPK1NPC1
SCHEMBL1415943 0.87 ALDH1A1 (0.54) MPLFABP4ALDH1A1MAPK1NPC1
SCHEMBL29363198 0.82 TTR (0.75) TTRMPLCYP1A2ALDH1A1L3MBTL1
SCHEMBL30233642 0.82 TTR (0.75) TTRMPLCYP1A2ALDH1A1L3MBTL1
SCHEMBL6242 0.82 TTR (0.75) TTRMPLCYP1A2ALDH1A1L3MBTL1
SCHEMBL29469804 0.81 CDK2 (0.56) EDNRAHTR6ALDH1A1MAPK1
SCHEMBL3966892 0.81 EDNRA (0.49) EDNRAFABP4HTR6ALDH1A1MAPK1
SCHEMBL668439 0.81 HTR6 (0.47) TTRHTR6ALDH1A1MAPK1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1455777-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS SMITHKLINE BEECHAM PLC (GB) 2004-09-15 EP claimed
WO-2003055478-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2003-07-10 WO claimed
EP-1455777-B1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS SMITHKLINE BEECHAM PLC (GB) 2007-11-21 EP disclosed
US-20050267152-A1 Gly1 transporter inhibitors and uses thereof in treatment of neurological and neuropsychiatric disorders MDS INC., DOING BUSINESS AS MDS SCIEX (CA) 2005-12-01 US disclosed
EP-1455777-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS SMITHKLINE BEECHAM PLC (GB) 2004-09-15 EP disclosed
WO-2003055478-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2003-07-10 WO disclosed
EP-0558258-B1 N-isoxazole-naphthylsulfonamide derivatives and their use as endothelin antagonists SQUIBB & SONS INC (US) 1997-05-07 EP disclosed
US-5378715-A Sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB CO. (US) 1995-01-03 US disclosed
EP-0558258-A1 N-isoxazole-naphthylsulfonamide derivatives and their use as endothelin antagonists E.R. SQUIBB & SONS, INC. (US) 1993-09-01 EP 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-20050267152-A1 Gly1 transporter inhibitors and uses thereof in treatment of neurological and neuropsychiatric disorders SLC1A2, SLC1A1, SLC18A2 TTR 815/4885EDNRA 1982/4885MPL 4695/4885

“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.