SCHEMBL13406918

SCHEMBL13406918

CC[C@@H](NC1=NS(=O)(=O)N=C1Nc1ccc([N+](=O)[O-])cc1O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 5/20 0.44
▸ CXCR1 P25024 4/20 0.44
▸ CRHBP P24387 1/20 0.41
▸ CRHR2 Q13324 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ NPC1 O15118 1/20 0.39
▸ KCNMA1 Q12791 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALOX5 P09917 2/20 0.37
▸ PTGES O14684 1/20 0.37
▸ HTT P42858 1/20 0.36
▸ HPGD P15428 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
SCHEMBL13406937 0.84 CXCR2 (0.43) CXCR2CXCR1KCNMA1
SCHEMBL13406925 0.84 KCNA5 (0.38) CXCR2CXCR1ALDH1A1MEN1KMT2A
SCHEMBL13947731 0.83 KDM4E (0.43) CXCR2CXCR1ALDH1A1MAPTMEN1
SCHEMBL13406919 0.83 KDM4E (0.43) CXCR2CXCR1ALDH1A1MAPTMEN1
SCHEMBL13947954 0.83 CXCR2 (0.41) CXCR2CXCR1ALDH1A1MAPTLMNA
SCHEMBL13406921 0.83 CXCR2 (0.41) CXCR2CXCR1ALDH1A1MAPTLMNA
SCHEMBL13406917 0.81 KDM4E (0.34) CXCR2CXCR1ALDH1A1LMNAKDM4E
SCHEMBL13440222 0.81 CXCR2 (0.43) CXCR2CXCR1ALDH1A1LMNAKDM4E
SCHEMBL13405691 0.81 CXCR2 (0.62) CXCR2CXCR1ALDH1A1KCNMA1MAPT
SCHEMBL13406910 0.80 CXCR2 (0.44) CXCR2CXCR1ALDH1A1LMNAKDM4E

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-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
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 (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-20070264230-A1 Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands CXCR1, CCR2, CX3CR1 CXCR2 6/4885CXCR1 1/4885CRHBP 1661/4885

“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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