SCHEMBL13406870

SCHEMBL13406870

COC1=NS(=O)(=O)N=C1Nc1cc(Br)cc(S(=O)(=O)c2ccccc2)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 6/20 0.41
▸ ALDH1A1 P00352 3/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TP53 P04637 3/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ KDM4E B2RXH2 3/20 0.35
▸ PKM P14618 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ACLY P53396 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ ABCC9 O60706 1/20 0.35
▸ ABCC8 Q09428 1/20 0.35
▸ KCNJ11 Q14654 1/20 0.35
▸ KCNJ8 Q15842 1/20 0.35
▸ HTR6 P50406 2/20 0.34
▸ WDR5 P61964 1/20 0.33
▸ GLA P06280 1/20 0.32

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
SCHEMBL13406871 0.85 HTR6 (0.40) GAAALDH1A1SMN1; SMN2TP53MEN1
SCHEMBL13407359 0.73 CXCR1 (0.41) GAAALDH1A1TP53MEN1KMT2A
SCHEMBL13406847 0.71 CCR6 (0.41) ALDH1A1SMN1; SMN2POLB
SCHEMBL13406849 0.69 TSHR (0.40) GAAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL13406869 0.65 HTR6 (0.53) GAAALDH1A1TP53RXFP1KDM4E
SCHEMBL13406331 0.63 CCR6 (0.49) —
SCHEMBL12087025 0.63 KMT2A (0.56) GAAALDH1A1MEN1KMT2AHPGD
SCHEMBL21512607 0.61 KDM4E (0.53) GAAALDH1A1SMN1; SMN2TP53RXFP1
SCHEMBL30866828 0.61 KDM4E (0.53) GAAALDH1A1SMN1; SMN2TP53RXFP1
SCHEMBL12087024 0.59 GAA (0.69) GAAALDH1A1MEN1KMT2APKM

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-7691856-B2 Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands SCHERING CORPORATION (US) 2010-04-06 — — US disclosed
US-7691856-B2 Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands SCHERING CORPORATION (US) 2010-04-06 — — US disclosed
EP-1551818-B1 THIADIAZOLEDIOXIDES AND THIADIAZOLEOXIDES AS CXC- AND CC-CHEMOKINE RECEPTOR LIGANDS SCHERING CORP (US) 2009-02-04 — — EP disclosed
US-20070264230-A1 Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands SCHERING CORPORATION 2007-11-15 — — US disclosed
US-20070264230-A1 Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands SCHERING CORPORATION 2007-11-15 — — 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-20070264230-A1 Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands CXCR1, CCR2, CX3CR1 GAA 4854/4885ALDH1A1 348/4885SMN1; SMN2 3200/4885

“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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