SCHEMBL13207679

SCHEMBL13207679

CC[C@@H](Nc1n[s+]([O-])nc1Nc1csc(S(=O)(=O)N2CCCC2)c1O)c1cc(C)co1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CXCR1 P25024 2/20 0.42
▸ CXCR2 P25025 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL13207716 0.93 CXCR1 (0.40) CXCR1CXCR2
SCHEMBL13207682 0.91 CXCR1 (0.36) CXCR1CXCR2
SCHEMBL13208604 0.88 CXCR1 (0.53) CXCR1CXCR2ALDH1A1
SCHEMBL13207536 0.88 CXCR1 (0.46) CXCR1CXCR2
SCHEMBL13207591 0.87 CXCR1 (0.47) CXCR1CXCR2
SCHEMBL13207697 0.87 CXCR1 (0.38) CXCR1CXCR2
SCHEMBL13207681 0.86 CXCR2 (0.42) CXCR1CXCR2ALDH1A1
SCHEMBL13207559 0.85 CXCR1 (0.44) CXCR1CXCR2
SCHEMBL13207611 0.85 CXCR1 (0.45) CXCR1CXCR2
SCHEMBL13208087 0.84 CXCR2 (0.49) CXCR1CXCR2

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-7786149-B2 Thiadiazoles as CXC- and CC- chemokine receptor ligands SCHERING CORP. (US) 2010-08-31 — — US disclosed
US-7786149-B2 Thiadiazoles as CXC- and CC- chemokine receptor ligands SCHERING CORP. (US) 2010-08-31 — — US disclosed
EP-1694659-B1 THIADIAZOLES AS CXC- AND CC- CHEMOKINE RECEPTOR LIGANDS SCHERING CORP (US) 2008-08-27 — — EP disclosed
US-20080090823-A1 THIADIAZOLES AS CXC- AND CC- CHEMOKINE RECEPTOR LIGANDS MERCK SHARP & DOHME CORP. 2008-04-17 — — US disclosed
US-20080090823-A1 THIADIAZOLES AS CXC- AND CC- CHEMOKINE RECEPTOR LIGANDS MERCK SHARP & DOHME CORP. 2008-04-17 — — 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-20080090823-A1 THIADIAZOLES AS CXC- AND CC- CHEMOKINE RECEPTOR LIGANDS CCR2, ACKR3, CX3CR1 CXCR1 4/4885CXCR2 6/4885ALDH1A1 500/4885

“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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