SCHEMBL13406855

SCHEMBL13406855

COC1=NS(=O)(=O)N=C1Nc1cccc(C(=O)N2CCCC(C)(O)C2)c1O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 9/20 0.37
▸ VNN1 O95497 1/20 0.36
▸ CXCR1 P25024 5/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ CCR6 P51684 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HTT P42858 1/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 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
SCHEMBL13406844 0.83 CXCR2 (0.53) CXCR2CXCR1KMT2AHTTALDH1A1
SCHEMBL13406846 0.81 TSHR (0.48) CXCR2CXCR1KMT2ACCR6SMN1; SMN2
SCHEMBL13406857 0.81 CXCR2 (0.44) CXCR2CXCR1KMT2ANPC1RAB9A
SCHEMBL13439959 0.78 CXCR1 (0.53) CXCR2CXCR1CCR6
SCHEMBL13407274 0.78 CXCR1 (0.53) CXCR2CXCR1CCR6
SCHEMBL13406860 0.78 CXCR2 (0.52) CXCR2CXCR1KMT2ASMN1; SMN2CYP2C19
SCHEMBL13439943 0.76 KMT2A (0.43) KMT2ASMN1; SMN2CYP1A2CYP2C19HTT
SCHEMBL13406845 0.76 ALDH1A1 (0.55) KMT2ASMN1; SMN2CYP1A2CYP2C19ALDH1A1
SCHEMBL13406858 0.75 TRPV1 (0.42) CXCR2CXCR1CCR6RAB9A
SCHEMBL13406144 0.73 CXCR2 (0.48) CXCR2CXCR1CCR6

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 CXCR2 6/4885VNN1 4439/4885CXCR1 1/4885

“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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