SCHEMBL13406917

SCHEMBL13406917

[C-]#[N+]c1ccc(NC2=NS(=O)(=O)N=C2N[C@H](CC)c2ccccc2)c(O)c1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ CXCR2 P25025 14/20 0.34
▸ CXCR1 P25024 3/20 0.34
▸ ASPH Q12797 1/20 0.33
▸ KDM8 Q8N371 1/20 0.33
▸ KCNK3 O14649 1/20 0.33
▸ CCR6 P51684 1/20 0.33
▸ TAS1R3 Q7RTX0 1/20 0.33
▸ TAS1R1 Q7RTX1 1/20 0.33

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
SCHEMBL13406925 0.85 KCNA5 (0.38) KDM4EALDH1A1LMNAHPGDTSHR
SCHEMBL13947731 0.84 KDM4E (0.43) KDM4EALDH1A1LMNAHPGDTSHR
SCHEMBL13406919 0.84 KDM4E (0.43) KDM4EALDH1A1LMNAHPGDTSHR
SCHEMBL13947954 0.84 CXCR2 (0.41) KDM4EALDH1A1LMNAHPGDTSHR
SCHEMBL13406921 0.84 CXCR2 (0.41) KDM4EALDH1A1LMNAHPGDTSHR
SCHEMBL13440222 0.82 CXCR2 (0.43) KDM4EALDH1A1LMNAHPGDTSHR
SCHEMBL13406918 0.81 CXCR2 (0.44) KDM4EALDH1A1LMNAHPGDCXCR2
SCHEMBL13406923 0.81 CXCR2 (0.42) CXCR2CXCR1
SCHEMBL13406910 0.80 CXCR2 (0.44) KDM4EALDH1A1LMNAHPGDTSHR
SCHEMBL13948010 0.75 KDM4E (0.37) KDM4EALDH1A1LMNAHPGDTSHR

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 2 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-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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