SCHEMBL13406919

SCHEMBL13406919

CC[C@@H](NC1=NS(=O)(=O)N=C1Nc1ccccc1O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ CXCR2 P25025 14/20 0.41
▸ CXCR1 P25024 5/20 0.40
▸ ASPH Q12797 1/20 0.39
▸ KDM8 Q8N371 1/20 0.39
▸ KCNQ2 O43526 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KCNA5 P22460 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TACR3 P29371 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
SCHEMBL13947731 1.00 KDM4E (0.43) KDM4EALDH1A1LMNAHPGDTSHR
SCHEMBL13406925 0.87 KCNA5 (0.38) KDM4EALDH1A1LMNAHPGDTSHR
SCHEMBL13947954 0.86 CXCR2 (0.41) KDM4EALDH1A1LMNAHPGDTSHR
SCHEMBL13406921 0.86 CXCR2 (0.41) KDM4EALDH1A1LMNAHPGDTSHR
SCHEMBL13440222 0.84 CXCR2 (0.43) KDM4EALDH1A1LMNAHPGDTSHR
SCHEMBL13406917 0.84 KDM4E (0.34) KDM4EALDH1A1LMNAHPGDTSHR
SCHEMBL13406918 0.83 CXCR2 (0.44) KDM4EALDH1A1LMNAHPGDCXCR2
SCHEMBL13439920 0.82 CXCR2 (0.42) CXCR2CXCR1
SCHEMBL13406928 0.82 CXCR2 (0.65) KDM4EALDH1A1LMNAHPGDTSHR
SCHEMBL13406923 0.82 CXCR2 (0.42) 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 KDM4E 4781/4885ALDH1A1 348/4885LMNA 4848/4885

“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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