SCHEMBL13208649

SCHEMBL13208649

CC[C@@H](Nc1nsnc1Nc1csc(S(=O)(=O)N2CCN(CC)CC2)c1O)c1cc(C)co1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CXCR1 P25024 6/20 0.51
▸ CXCR2 P25025 6/20 0.51
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HTT P42858 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
SCHEMBL13208604 0.93 CXCR1 (0.53) CXCR1CXCR2
SCHEMBL13208651 0.91 CXCR1 (0.41) CXCR1CXCR2KMT2ASMN1; SMN2
SCHEMBL13207716 0.88 CXCR1 (0.40) CXCR1CXCR2HTT
SCHEMBL13208647 0.87 CXCR2 (0.50) CXCR1CXCR2KMT2ASMN1; SMN2
SCHEMBL13208418 0.85 CXCR1 (0.58) CXCR1CXCR2
SCHEMBL14100302 0.85 CXCR1 (0.43) CXCR1CXCR2KMT2ASMN1; SMN2
SCHEMBL13208466 0.84 CXCR1 (0.60) CXCR1CXCR2
SCHEMBL13208606 0.83 CXCR1 (0.42) CXCR1CXCR2
SCHEMBL13208627 0.82 CXCR1 (0.48) CXCR1CXCR2
SCHEMBL13208441 0.82 CXCR1 (0.56) 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 6/4885KMT2A 4785/4885

“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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