SCHEMBL3781603

SCHEMBL3781603

COc1ccc(S(=O)(=O)O)c2ccccc12.[NaH]

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.54
▸ FABP4 P15090 8/20 0.53
▸ NPC1 O15118 1/20 0.52
▸ MAPK1 P28482 2/20 0.49
▸ MPL P40238 1/20 0.49
▸ SLC2A1 P11166 1/20 0.49
▸ TSHR P16473 2/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ LMNA P02545 2/20 0.48
▸ HTT P42858 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ IDO1 P14902 1/20 0.47

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 0.98 ALDH1A1 (0.55) ALDH1A1FABP4NPC1MAPK1MPL
SCHEMBL13719098 0.96 ALDH1A1 (0.54) ALDH1A1FABP4NPC1MAPK1MPL
SCHEMBL1415943 0.96 ALDH1A1 (0.54) ALDH1A1FABP4NPC1MAPK1MPL
SCHEMBL5239888 0.87 TTR (0.55) ALDH1A1FABP4NPC1MAPK1MPL
SCHEMBL9468792 0.84 ALDH1A1 (0.46) ALDH1A1FABP4NPC1MPLHTT
SCHEMBL7710380 0.82 TTR (0.59) ALDH1A1MPLTSHRSMN1; SMN2
SCHEMBL15461561 0.81 ALDH1A1 (0.56) ALDH1A1FABP4NPC1MAPK1SLC2A1
SCHEMBL30855487 0.81 ALDH1A1 (0.56) ALDH1A1FABP4NPC1MAPK1SLC2A1
SCHEMBL3754233 0.81 TSHR (0.58) ALDH1A1FABP4SLC2A1TSHRSMN1; SMN2
SCHEMBL29409575 0.80 TTR (0.61) ALDH1A1MPLTSHRSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8435978-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-05-07 — — US disclosed
US-20100324009-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-23 — — US disclosed
US-20100317644-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-16 — — US disclosed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 — — 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 (3 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-20100317644-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 ALDH1A1 1535/4885FABP4 1903/4885NPC1 2707/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 ALDH1A1 1535/4885FABP4 1903/4885NPC1 2707/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 ALDH1A1 1535/4885FABP4 1903/4885NPC1 2707/4885

“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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