SCHEMBL13208146

SCHEMBL13208146

CN(C)C(=O)c1cccc(Nc2nsnc2N[C@@H](c2ccccc2)C(F)(F)F)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CXCR1 P25024 19/20 1.00
▸ CXCR2 P25025 19/20 1.00
▸ CCR6 P51684 1/20 0.56

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
SCHEMBL13208180 0.91 CXCR1 (0.84) CXCR1CXCR2CCR6
SCHEMBL13227438 0.86 CXCR1 (1.00) CXCR1CXCR2
SCHEMBL13208164 0.86 CXCR1 (1.00) CXCR1CXCR2
SCHEMBL13207020 0.85 CXCR2 (0.75) CXCR1CXCR2CCR6
SCHEMBL13208124 0.83 CXCR2 (1.00) CXCR1CXCR2
SCHEMBL13208153 0.83 CXCR1 (1.00) CXCR1CXCR2CCR6
SCHEMBL11885879 0.82 CXCR2 (0.69) CXCR1CXCR2CCR6
SCHEMBL13208150 0.82 CXCR2 (1.00) CXCR1CXCR2
SCHEMBL13227314 0.81 CXCR1 (0.68) CXCR1CXCR2CCR6
SCHEMBL13208798 0.81 CXCR1 (0.68) CXCR1CXCR2CCR6

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 6/4885CCR6 21/4885

“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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