SCHEMBL13406845

SCHEMBL13406845

COC1=NS(=O)(=O)N=C1Nc1cccc(C(=O)N2CCN(c3ccccn3)CC2)c1O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.55
▸ KDM4E B2RXH2 6/20 0.55
▸ HSD17B10 Q99714 6/20 0.55
▸ CYP2C9 P11712 2/20 0.55
▸ CYP2C19 P33261 2/20 0.55
▸ TSHR P16473 4/20 0.50
▸ HPGD P15428 4/20 0.50
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ USP2 O75604 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ LMNA P02545 2/20 0.46
▸ CDK5 Q00535 1/20 0.46
▸ CDK5R1 Q15078 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ MAPT P10636 1/20 0.44

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
SCHEMBL13406860 0.89 CXCR2 (0.52) ALDH1A1KDM4EHSD17B10CYP2C9CYP2C19
SCHEMBL13406844 0.86 CXCR2 (0.53) ALDH1A1KDM4ETSHRHPGDKMT2A
SCHEMBL13406846 0.82 TSHR (0.48) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL13407253 0.78 CXCR2 (0.47) ALDH1A1KDM4EHSD17B10CYP2C9CYP2C19
SCHEMBL13407248 0.78 CXCR2 (0.54) ALDH1A1KDM4EHSD17B10CYP2C9CYP2C19
SCHEMBL13406857 0.77 CXCR2 (0.44) TSHRMEN1KMT2APOLB
SCHEMBL13406855 0.76 CXCR2 (0.37) ALDH1A1CYP2C19KMT2ASMN1; SMN2CYP1A2
SCHEMBL13439943 0.74 KMT2A (0.43) ALDH1A1KDM4EHSD17B10CYP2C9CYP2C19
SCHEMBL13406144 0.73 CXCR2 (0.48) —
SCHEMBL13406858 0.73 TRPV1 (0.42) LMNAPOLB

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 ALDH1A1 348/4885KDM4E 4781/4885HSD17B10 2672/4885

“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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