SCHEMBL590435

SCHEMBL590435

NC[C@@H]1CN(c2ccc3c(c2)NC(=O)CS3)C(=O)O1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.46
HTT P42858 1/20 0.41
CALML3 P27482 2/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
POLB P06746 1/20 0.38
GRM2 Q14416 2/20 0.37
TRPV1 Q8NER1 1/20 0.37
EPHX2 P34913 1/20 0.36

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
SCHEMBL2170757 1.00 F10 (0.46) F10HTTCALML3GAAALDH1A1
SCHEMBL590436 1.00 F10 (0.46) F10HTTCALML3GAAALDH1A1
SCHEMBL1712464 0.91 GRM2 (0.41) F10HTTCALML3GAAGRM2
SCHEMBL591467 0.91 GRM2 (0.41) F10HTTCALML3GAAGRM2
SCHEMBL1712026 0.91 GRM2 (0.41) F10HTTCALML3GAAGRM2
SCHEMBL2170693 0.89 GRM2 (0.44) GRM2
SCHEMBL591179 0.89 GRM2 (0.44) GRM2
SCHEMBL3334010 0.89 GRM2 (0.44) GRM2
SCHEMBL633071 0.89 HTT (0.41) F10HTTCALML3GAAALDH1A1
SCHEMBL592187 0.89 MAOA (0.51) HTTCALML3GAAALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2146987-B1 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2015-12-02 EP disclosed
US-8916573-B2 Quinazoline-2,4-dione derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2014-12-23 US disclosed
US-20140171425-A1 QUINAZOLINE-2,4-DIONE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2014-06-19 US disclosed
EP-2254887-B9 OXAZOLIDINONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-05-29 EP disclosed
US-8349826-B2 Oxazolidinone derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2013-01-08 US disclosed
EP-2254887-B1 OXAZOLIDINONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-12-19 EP disclosed
EP-2346862-B1 2-BENZOTHIOPHENYL-AND 2-NAPHTHYL-0XAZ0LIDIN0NES AND THEIR AZAISOSTERE ANALOGUES AS ANTIBACTERIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2012-09-12 EP disclosed
US-8114867-B2 Oxazolidinone antibiotic derivatives ACTELION PHARMACEUTICALS LTD (CH) 2012-02-14 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
US-20100331308-A1 OXAZOLIDINONE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-12-30 US disclosed
EP-2254887-A1 OXAZOLIDINONE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-12-01 EP disclosed
US-20100137290-A1 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-06-03 US disclosed
EP-2146987-A2 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-01-27 EP disclosed
WO-2009104159-A1 OXAZOLIDINONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-08-27 WO disclosed
WO-2008126024-A2 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-10-23 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 (4 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-20100137290-A1 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES OXA1L, XDH, CCNY F10 1405/4885HTT 3101/4885CALML3 4483/4885
US-20100331308-A1 OXAZOLIDINONE DERIVATIVES OXA1L, UQCRB, O60361 F10 640/4885HTT 4236/4885CALML3 4790/4885
US-20110195949-A1 2-BENZOTHIOPHENYL- AND 2-NAPHTHYL-OXAZOLIDINONES AND THEIR AZAISOSTERE ANALOGUES AS ANTIBACTERIAL AGENTS UQCRB, XDH, TOP2B F10 1815/4885HTT 4353/4885CALML3 4571/4885
US-20140171425-A1 QUINAZOLINE-2,4-DIONE DERIVATIVES NQO2, H1-3, H1-0 F10 2188/4885HTT 2518/4885CALML3 1627/4885

“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.