SCHEMBL13227104

SCHEMBL13227104

C=C(C)C(Nc1n[s+]([O-])nc1Nc1cccc(C(=O)N2CCC[C@H]2CO)c1O)c1ccc(C)s1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 16/20 0.39
▸ CXCR1 P25024 13/20 0.39
▸ CXCR3 P49682 2/20 0.34
▸ CCR6 P51684 2/20 0.34
▸ CCR4 P51679 1/20 0.34
▸ RAB9A P51151 1/20 0.33
▸ PPARG P37231 1/20 0.32
▸ TRPV1 Q8NER1 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
SCHEMBL13207786 0.89 CXCR2 (0.41) CXCR2CXCR1CXCR3CCR6CCR4
SCHEMBL14100447 0.89 CXCR2 (0.41) CXCR2CXCR1CXCR3CCR6CCR4
SCHEMBL13227417 0.87 CXCR1 (0.44) CXCR2CXCR1CXCR3CCR6CCR4
SCHEMBL13227260 0.86 CXCR2 (0.43) CXCR2CXCR1
SCHEMBL13227272 0.83 CXCR2 (0.41) CXCR2CXCR1CXCR3CCR6CCR4
SCHEMBL13227496 0.80 CXCR2 (0.59) CXCR2CXCR1
SCHEMBL13207775 0.79 CXCR2 (0.42) CXCR2CXCR1TRPV1
SCHEMBL13207777 0.79 CXCR2 (0.46) CXCR2CXCR1CCR6
SCHEMBL13227414 0.79 CXCR2 (0.46) CXCR2CXCR1CCR6
SCHEMBL13207779 0.79 CXCR2 (0.52) CXCR2CXCR1CXCR3CCR6CCR4

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-7786149-B2 Thiadiazoles as CXC- and CC- chemokine receptor ligands SCHERING CORP. (US) 2010-08-31 — — 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 CXCR2 6/4885CXCR1 4/4885CXCR3 5/4885

“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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