SCHEMBL3428210

SCHEMBL3428210

CS(=O)(=O)OCC1Cn2c(=O)ccc3cccc(c32)O1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.39
DRD2 P14416 1/20 0.39
CA2 P00918 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
GRM2 Q14416 1/20 0.33
CYP2C19 P33261 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
NISCH Q9Y2I1 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL3785969 0.78 HTR1A (0.41) HTR1ADRD2KDM4EMAPTNISCH
SCHEMBL3404272 0.78 HTR1A (0.41) HTR1ADRD2KDM4EMAPTNISCH
SCHEMBL2287760 0.78 HTR1A (0.40) HTR1ADRD2
SCHEMBL5100424 0.72 PTGIR (0.46) HTR1ACA2
SCHEMBL2190445 0.72 PTGIR (0.46) HTR1ACA2
SCHEMBL13299804 0.70 KCNH2 (0.41) HTR1ADRD2
SCHEMBL3227040 0.70 KCNH2 (0.41) HTR1ADRD2
SCHEMBL3428015 0.69 HTR1A (0.41) HTR1ADRD2
SCHEMBL9455313 0.69 GRM2 (0.49) HTR1AGRM2
SCHEMBL9210124 0.68 GRM2 (0.51) GRM2

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
EP-2257551-B1 AZATRICYCLIC ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2013-04-10 EP disclosed
US-8349828-B2 Azatricyclic antibiotic compounds ACTELION PHARMACEUTICALS LTD. (CH) 2013-01-08 US disclosed
US-20100331318-A1 AZATRICYCLIC ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD. (CH) 2010-12-30 US disclosed
EP-2257551-A2 AZATRICYCLIC ANTIBIOTIC COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2010-12-08 EP disclosed
WO-2009104147-A2 AZATRICYCLIC ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2009-08-27 WO 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-20100331318-A1 AZATRICYCLIC ANTIBIOTIC COMPOUNDS ZYX, AZI2, NAT1 HTR1A 1449/4885DRD2 806/4885CA2 4000/4885

“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.