SCHEMBL13205574

SCHEMBL13205574

CCOc1n[s+]([O-])nc1Nc1cccc(C(=O)N(C)Cc2cccnc2)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ POLB P06746 1/20 0.40
▸ RIPK1 Q13546 1/20 0.38
▸ CXCR2 P25025 4/20 0.38
▸ KCNA5 P22460 2/20 0.38
▸ LMNA P02545 1/20 0.37
▸ GRM5 P41594 1/20 0.37
▸ CXCR1 P25024 3/20 0.36
▸ PDK1 Q15118 2/20 0.36
▸ CLK1 P49759 1/20 0.36
▸ DHODH Q02127 1/20 0.36
▸ ACACB O00763 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TNF P01375 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ NOD2 Q9HC29 1/20 0.36
▸ NOD1 Q9Y239 1/20 0.36

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
SCHEMBL13206753 0.90 CXCR2 (0.45) ALDH1A1HPGDPOLBCXCR2CXCR1
SCHEMBL13205434 0.84 CXCR2 (0.48) CXCR2CXCR1
SCHEMBL13206764 0.83 CXCR2 (0.42) CXCR2CXCR1
SCHEMBL13206767 0.80 CXCR2 (0.44) HPGDCXCR2LMNACXCR1MAPT
SCHEMBL13206769 0.78 CXCR2 (0.41) ALDH1A1PKMHPGDCXCR2LMNA
SCHEMBL13207263 0.77 CXCR1 (0.55) CXCR2CXCR1
SCHEMBL13207528 0.76 CXCR2 (0.50) ALDH1A1HPGDCXCR2CXCR1MAPT
SCHEMBL13948309 0.76 CXCR2 (0.35) CXCR2LMNACXCR1ACACB
SCHEMBL13205511 0.75 MEN1 (0.34) CXCR2CXCR1
SCHEMBL13207529 0.75 HPGD (0.53) ALDH1A1HPGDCXCR2CXCR1MAPT

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 11 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-7691856-B2 Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands SCHERING CORPORATION (US) 2010-04-06 — — US disclosed
US-7691856-B2 Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands SCHERING CORPORATION (US) 2010-04-06 — — US disclosed
EP-1551818-B1 THIADIAZOLEDIOXIDES AND THIADIAZOLEOXIDES AS CXC- AND CC-CHEMOKINE RECEPTOR LIGANDS SCHERING CORP (US) 2009-02-04 — — EP 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
US-7338968-B2 Thiadiazoles AS CXC- and CC- chemokine receptor ligands SCHERING CORPORATION (US) 2008-03-04 — — US disclosed
US-20070264230-A1 Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands SCHERING CORPORATION 2007-11-15 — — US disclosed
US-20070264230-A1 Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands SCHERING CORPORATION 2007-11-15 — — 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 (2 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 ALDH1A1 500/4885PKM 4500/4885HPGD 445/4885
US-20070264230-A1 Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands CXCR1, CCR2, CX3CR1 ALDH1A1 348/4885PKM 4601/4885HPGD 211/4885

“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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