SCHEMBL13208993

SCHEMBL13208993

CC[C@@H](Nc1nsnc1Nc1cccc(S(=O)(=O)N2CCOCC2)c1O)c1cc(C(C)C)co1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 18/20 0.49
▸ CXCR1 P25024 16/20 0.49
▸ USP2 O75604 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL13208967 0.94 CXCR2 (0.51) CXCR2CXCR1
SCHEMBL13208994 0.91 CXCR2 (0.61) CXCR2CXCR1USP2SMN1; SMN2
SCHEMBL13208116 0.88 CXCR2 (0.45) CXCR2CXCR1ALDH1A1SMN1; SMN2
SCHEMBL13208945 0.85 CXCR1 (0.55) CXCR2CXCR1
SCHEMBL13208988 0.85 CXCR2 (0.59) CXCR2CXCR1USP2
SCHEMBL13208965 0.84 CXCR2 (0.62) CXCR2CXCR1ALDH1A1
SCHEMBL13208920 0.84 CXCR1 (0.57) CXCR2CXCR1
SCHEMBL13208089 0.81 CXCR1 (0.46) CXCR2CXCR1
SCHEMBL13208227 0.81 CXCR2 (0.45) CXCR2CXCR1
SCHEMBL13208606 0.79 CXCR1 (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 4 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
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 CXCR2 6/4885CXCR1 4/4885USP2 3909/4885

“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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