SCHEMBL13207529

SCHEMBL13207529

CN(Cc1ccccc1)C(=O)c1cccc(Nc2n[s+]([O-])nc2Nc2ccccc2Br)c1O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.53
▸ CXCR2 P25025 7/20 0.47
▸ MAPT P10636 1/20 0.45
▸ KMT2A Q03164 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CXCR1 P25024 3/20 0.42
▸ GAA P10253 1/20 0.42
▸ SIRT2 Q8IXJ6 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ ABCC1 P33527 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39

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
SCHEMBL13207528 0.90 CXCR2 (0.50) HPGDCXCR2MAPTKMT2ACXCR1
SCHEMBL13207866 0.89 CXCR2 (0.43) HPGDCXCR2CXCR1
SCHEMBL13207150 0.88 CXCR2 (0.50) CXCR2CXCR1
SCHEMBL13207530 0.87 CXCR2 (0.46) HPGDCXCR2MAPTKMT2ACXCR1
SCHEMBL13208408 0.86 HPGD (0.55) HPGDCXCR2MAPTKMT2ACXCR1
SCHEMBL13206753 0.84 CXCR2 (0.45) HPGDCXCR2MAPTKMT2ACXCR1
SCHEMBL13207531 0.83 CCR6 (0.54) CXCR2CXCR1
SCHEMBL13207888 0.81 CXCR2 (0.48) CXCR2CXCR1ALDH1A1
SCHEMBL13207266 0.79 CXCR2 (0.63) CXCR2CXCR1
SCHEMBL13948100 0.79 CXCR2 (0.43) HPGDCXCR2MAPTKMT2ACXCR1

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 HPGD 445/4885CXCR2 6/4885MAPT 4570/4885

“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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