SCHEMBL590322

SCHEMBL590322

CS(=O)(=O)OC[C@@H]1CN(c2ccc3c(c2)NC(=O)CO3)C(=O)O1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 2/20 0.43
DRD4 P21917 5/20 0.43
DRD2 P14416 4/20 0.43
DRD3 P35462 3/20 0.43
PARP1 P09874 1/20 0.42
NR3C2 P08235 5/20 0.42
MMP12 P39900 1/20 0.42
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.41
TRPV1 Q8NER1 1/20 0.39

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
SCHEMBL1711960 0.90 KMT2A (0.44) KMT2ASMN1; SMN2ALDH1A1NPSR1RXFP1
SCHEMBL3432195 0.90 KMT2A (0.44) KMT2ASMN1; SMN2ALDH1A1NPSR1RXFP1
SCHEMBL1712473 0.90 KMT2A (0.44) KMT2ASMN1; SMN2ALDH1A1NPSR1RXFP1
SCHEMBL2184514 0.89 GRM2 (0.43) KMT2ASMN1; SMN2ALDH1A1NPSR1RXFP1
SCHEMBL14691153 0.85 RXFP1 (0.40) KMT2ASMN1; SMN2ALDH1A1NPSR1RXFP1
SCHEMBL15791864 0.85 RXFP1 (0.40) KMT2ASMN1; SMN2ALDH1A1NPSR1RXFP1
SCHEMBL15791865 0.85 RXFP1 (0.40) KMT2ASMN1; SMN2ALDH1A1NPSR1RXFP1
SCHEMBL590160 0.82 KMT2A (0.44) KMT2ASMN1; SMN2ALDH1A1NPSR1RXFP1
SCHEMBL592012 0.82 ALDH1A1 (0.52) KMT2ASMN1; SMN2ALDH1A1NPSR1DRD4
SCHEMBL592011 0.82 ALDH1A1 (0.52) KMT2ASMN1; SMN2ALDH1A1NPSR1DRD4

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 13 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
EP-2245028-B1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-02-22 EP disclosed
US-8114867-B2 Oxazolidinone antibiotic derivatives ACTELION PHARMACEUTICALS LTD (CH) 2012-02-14 US disclosed
US-20110201595-A1 OXAZOLIDINYL ANTIBIOTICS ACTELION PHARMACEUTICALS LTD. (CH) 2011-08-18 US disclosed
US-20110195961-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD. (CH) 2011-08-11 US disclosed
US-20110195949-A1 2-BENZOTHIOPHENYL- AND 2-NAPHTHYL-OXAZOLIDINONES AND THEIR AZAISOSTERE ANALOGUES AS ANTIBACTERIAL AGENTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-08-11 US disclosed
EP-2346862-A1 2-BENZOTHIOPHENYL-AND 2-NAPHTHYL-0XAZ0LIDIN0NES AND THEIR AZAISOSTERE ANALOGUES AS ANTIBACTERIAL AGENTS Actelion Pharmaceuticals Ltd. (CH) 2011-07-27 EP disclosed
EP-2344485-A2 OXAZOLIDINYL ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2011-07-20 EP disclosed
EP-2344495-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2011-07-20 EP disclosed
US-20110136795-A1 TRICYCLIC ALKYLAMINOMETHYLOXAZOLIDINONE DERIVATIVES ACTELION PHARMACEUTICALS LTD. 2011-06-09 US disclosed
EP-2321307-A1 TRICYCLIC ALKYLAMINOMETHYLOXAZOLIDINONE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2011-05-18 EP disclosed
US-20110039823-A1 OXAZOLIDINONE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2011-02-17 US disclosed
US-20110003789-A1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2011-01-06 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 (6 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-20110201595-A1 OXAZOLIDINYL ANTIBIOTICS OXA1L, UBE2D3, PYM1 KMT2A 2470/4885SMN1; SMN2 2942/4885ALDH1A1 3179/4885
US-20110039823-A1 OXAZOLIDINONE ANTIBIOTICS OXA1L, XDH, UBE2D3 KMT2A 3162/4885SMN1; SMN2 3353/4885ALDH1A1 1324/4885
US-20110195949-A1 2-BENZOTHIOPHENYL- AND 2-NAPHTHYL-OXAZOLIDINONES AND THEIR AZAISOSTERE ANALOGUES AS ANTIBACTERIAL AGENTS UQCRB, XDH, TOP2B KMT2A 1940/4885SMN1; SMN2 2361/4885ALDH1A1 2026/4885
US-20110136795-A1 TRICYCLIC ALKYLAMINOMETHYLOXAZOLIDINONE DERIVATIVES PYM1, Q6ZSR9, O60361 KMT2A 425/4885SMN1; SMN2 3448/4885ALDH1A1 1843/4885
US-20110195961-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS HRH3, OXA1L, HRH1 KMT2A 3604/4885SMN1; SMN2 4123/4885ALDH1A1 3208/4885
US-20110003789-A1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES CNKSR1, KCNH1, CBR3 KMT2A 1674/4885SMN1; SMN2 2326/4885ALDH1A1 2633/4885

“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.