SCHEMBL13406856

SCHEMBL13406856

COC1=NS(=O)(=O)N=C1Nc1cccc(C(=O)N(C)Cc2cccnc2)c1O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CLK1 P49759 1/20 0.41
▸ KCNA5 P22460 2/20 0.39
▸ PDK1 Q15118 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ RIPK1 Q13546 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ ACACB O00763 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ PKM P14618 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ CXCR2 P25025 3/20 0.37
▸ CXCR1 P25024 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ GRM5 P41594 1/20 0.36
▸ HTR2C P28335 1/20 0.36

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
SCHEMBL13947886 0.82 CXCR2 (0.41) CXCR2CXCR1
SCHEMBL13406854 0.82 CXCR2 (0.42) CXCR2CXCR1
SCHEMBL13406144 0.81 CXCR2 (0.48) CXCR2CXCR1
SCHEMBL13407273 0.78 CXCR1 (0.51) CXCR2CXCR1
SCHEMBL13440393 0.78 CXCR1 (0.51) CXCR2CXCR1
SCHEMBL12260888 0.72 RIPK1 (0.50) CLK1PDK1LMNARIPK1HPGD
SCHEMBL13205574 0.71 ALDH1A1 (0.43) CLK1KCNA5PDK1LMNARIPK1
SCHEMBL13406844 0.69 CXCR2 (0.53) LMNAALDH1A1HPGDCXCR2CXCR1
SCHEMBL11068305 0.69 ALDH1A1 (0.46) ALDH1A1HPGDKDM4ETSHRHSD17B10
SCHEMBL12263117 0.69 CXCR2 (0.70) CXCR2CXCR1

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 CLK1 3307/4885KCNA5 3153/4885PDK1 2188/4885

“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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