SCHEMBL2290503

SCHEMBL2290503

CS(=O)(=O)OCC[C@H]1CN(c2ccc3c(c2)OCCO3)C(=O)O1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.45
GRM2 Q14416 14/20 0.44
MAOB P27338 1/20 0.41
GRK2 P25098 1/20 0.41
KMT2A Q03164 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41

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
SCHEMBL1723468 1.00 SIGMAR1 (0.45) SIGMAR1GRM2MAOBGRK2KMT2A
SCHEMBL1842478 0.89 SIGMAR1 (0.46) SIGMAR1GRM2MAOBGRK2KMT2A
SCHEMBL591031 0.89 SIGMAR1 (0.46) SIGMAR1GRM2MAOBGRK2KMT2A
SCHEMBL633077 0.89 SIGMAR1 (0.46) SIGMAR1GRM2MAOBGRK2KMT2A
SCHEMBL3432195 0.82 KMT2A (0.44) GRM2KMT2A
SCHEMBL1711960 0.82 KMT2A (0.44) GRM2KMT2A
SCHEMBL1712473 0.82 KMT2A (0.44) GRM2KMT2A
SCHEMBL1712202 0.81 MAOB (0.48) GRM2MAOB
SCHEMBL7291394 0.81 GRM2 (0.47) SIGMAR1GRM2
SCHEMBL2288899 0.81 SIGMAR1 (0.44) SIGMAR1GRM2GRK2KMT2ACTDSP1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9822114-B2 Tricyclic oxazolidinone antibiotic compounds IDORSIA PHARMACEUTICALS LTD (CH) 2017-11-21 US disclosed
US-20160237088-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS IDORSIA PHARMACEUTICALS LTD (CH) 2016-08-18 US disclosed
US-9346804-B2 Tricyclic oxazolidinone antibiotic compounds ACTELION PHARMACEUTICALS LTD. (CH) 2016-05-24 US disclosed
EP-2344495-B1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2014-12-31 EP disclosed
US-20140142093-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD. (CH) 2014-05-22 US disclosed
US-8618092-B2 Tricyclic oxazolidinone antibiotic compounds ACTELION PHARMACEUTICALS LTD. (CH) 2013-12-31 US disclosed
US-20110195961-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD. (CH) 2011-08-11 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 (3 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-20110195961-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS HRH3, OXA1L, HRH1 SIGMAR1 48/4885GRM2 2558/4885MAOB 2979/4885
US-20160237088-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS H1-3, HRH3, HRH4 SIGMAR1 36/4885GRM2 2253/4885MAOB 2704/4885
US-20140142093-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS OXA1L, H1-3, NGLY1 SIGMAR1 27/4885GRM2 2286/4885MAOB 3125/4885

“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.