SCHEMBL633077

SCHEMBL633077

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

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.46
MAOB P27338 2/20 0.42
GRK2 P25098 1/20 0.42
KMT2A Q03164 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
GRM2 Q14416 6/20 0.42
POLB P06746 1/20 0.41
MAOA P21397 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL591031 1.00 SIGMAR1 (0.46) SIGMAR1MAOBGRK2KMT2ACTDSP1
SCHEMBL1842478 1.00 SIGMAR1 (0.46) SIGMAR1MAOBGRK2KMT2ACTDSP1
SCHEMBL1723468 0.89 SIGMAR1 (0.45) SIGMAR1MAOBGRK2KMT2ACTDSP1
SCHEMBL2290503 0.89 SIGMAR1 (0.45) SIGMAR1MAOBGRK2KMT2ACTDSP1
SCHEMBL6372043 0.85 MAOB (0.39) SIGMAR1MAOBGRM2MAOA
SCHEMBL6209977 0.85 MAOB (0.39) SIGMAR1MAOBGRM2MAOA
SCHEMBL8145286 0.81 F10 (0.56) MAOBGRM2MAOA
SCHEMBL590322 0.81 KMT2A (0.46) KMT2APOLB
SCHEMBL12728925 0.81 GRM2 (0.60) SIGMAR1MAOBGRM2MAOA
SCHEMBL1222291 0.81 MAOB (0.50) MAOBGRM2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8466168-B2 Tricyclic alkylaminomethyloxazolidinone derivatives Actellon Pharmaceuticals Ltd. (CH) 2013-06-18 US disclosed
EP-2321307-B1 TRICYCLIC ALKYLAMINOMETHYLOXAZOLIDINONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-12-19 EP disclosed
EP-2245028-B1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-02-22 EP 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-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
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 SIGMAR1 344/4885MAOB 3045/4885GRK2 3790/4885
US-20110039823-A1 OXAZOLIDINONE ANTIBIOTICS OXA1L, XDH, UBE2D3 SIGMAR1 364/4885MAOB 181/4885GRK2 3429/4885
US-20110195949-A1 2-BENZOTHIOPHENYL- AND 2-NAPHTHYL-OXAZOLIDINONES AND THEIR AZAISOSTERE ANALOGUES AS ANTIBACTERIAL AGENTS UQCRB, XDH, TOP2B SIGMAR1 1072/4885MAOB 83/4885GRK2 3636/4885
US-20110136795-A1 TRICYCLIC ALKYLAMINOMETHYLOXAZOLIDINONE DERIVATIVES PYM1, Q6ZSR9, O60361 SIGMAR1 57/4885MAOB 615/4885GRK2 2538/4885
US-20110195961-A1 TRICYCLIC OXAZOLIDINONE ANTIBIOTIC COMPOUNDS HRH3, OXA1L, HRH1 SIGMAR1 48/4885MAOB 2979/4885GRK2 1999/4885
US-20110003789-A1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES CNKSR1, KCNH1, CBR3 SIGMAR1 28/4885MAOB 1622/4885GRK2 2207/4885

“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.