SCHEMBL5838495

SCHEMBL5838495

CC(C)(C)OC(=O)Nc1nncs1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
POLB P06746 2/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
TAAR1 Q96RJ0 1/20 0.46
LMNA P02545 1/20 0.44
NR3C1 P04150 2/20 0.44
TSHR P16473 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL1280046 0.82 RAB9A (0.55) ALDH1A1HPGDHSD17B10RAB9ASMN1; SMN2
SCHEMBL11288091 0.80 FFAR2 (0.44) ALDH1A1HPGDHSD17B10RAB9ASMN1; SMN2
SCHEMBL11188449 0.80 FFAR2 (0.44) ALDH1A1HPGDHSD17B10RAB9ASMN1; SMN2
SCHEMBL11188438 0.80 FFAR2 (0.44) ALDH1A1HPGDHSD17B10RAB9ASMN1; SMN2
SCHEMBL11178685 0.78 SMN1; SMN2 (0.45) CA1CA2SMN1; SMN2POLBGAA
SCHEMBL12599389 0.77 NR3C1 (0.53) ALDH1A1HPGDHSD17B10RAB9ASMN1; SMN2
SCHEMBL1280159 0.77 LMNA (0.51) ALDH1A1HPGDHSD17B10RAB9ASMN1; SMN2
SCHEMBL1279996 0.77 POLB (0.52) ALDH1A1HPGDHSD17B10RAB9ASMN1; SMN2
SCHEMBL564354 0.76
SCHEMBL14720 0.73 METAP1 (0.66) ALDH1A1RAB9ASMN1; SMN2NPC1KMT2A

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
US-9481670-B2 Triazine compounds SPHAERA PHARMA PTE. LTD. (SG) 2016-11-01 US disclosed
US-9481670-B2 Triazine compounds SPHAERA PHARMA PTE. LTD. (SG) 2016-11-01 US disclosed
US-20130303516-A1 NOVEL TRIAZINE COMPOUNDS SPHAERA PHARMA PTE. LTD. (SG) 2013-11-14 US disclosed
US-20130303516-A1 NOVEL TRIAZINE COMPOUNDS SPHAERA PHARMA PTE. LTD. (SG) 2013-11-14 US disclosed
US-7087629-B2 Useful activity against Gram-positive pathogens and, in particular, against various strains exhibiting resistance to vancomycin and against E. faecium strains resistant to both aminoglycosides and clinically used beta-lactams ASTRAZENECA AB (SE) 2006-08-08 US disclosed
EP-1448536-A1 CYCLOPROPYL-CONTAINING OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF Merck & Co., Inc. (US) 2004-08-25 EP disclosed
US-6734200-B1 ANTIBIOTIC COMPOUNDS CONTAINING A SUBSTITUTED OXAZOLIDINONE RING; ACTIVITY AGAINST GRAM-POSITIVE PATHOGENS ASTRAZENECA AB (SE) 2004-05-11 US disclosed
US-6686363-B2 EFFECTIVE AGAINST MULTI-RESISTANT BACTERIA KYORIN PHARMACEUTICAL CO., LTD. (JP) 2004-02-03 US disclosed
US-20030225107-A1 CYCLOPROPYL CONTAINING OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK SHARP & DOHME CORP. 2003-12-04 US disclosed
US-20030207899-A1 Heterocyclylaminomethyloxazo-lidinones as antibacterials ASTRAZENECA AB (SE) 2003-11-06 US disclosed
WO-2003048136-A1 CYCLOPROPYL HEXANE CONTAINING OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK & CO., INC. (US) 2003-06-12 WO disclosed
EP-1121358-A1 HETEROCYCLYLAMINOMETHYLOXAZOLIDINONES AS ANTIBACTERIALS AstraZeneca AB (SE) 2001-08-08 EP disclosed
EP-1064279-A1 SUBSTITUTED BISINDOLYLMALEIMIDES FOR THE INHIBITION OF CELL PROLIFERATION F.HOFFMANN-LA ROCHE AG (CH) 2001-01-03 EP disclosed
WO-2000021960-A1 HETEROCYCLYL AMINO METHYLOXA ZOLIDINONES AS ANTIBACTERIALS ASTRAZENECA AB (SE) 2000-04-20 WO disclosed
WO-1999047518-A1 SUBSTITUTED BISINDOLYMALEIMIDES FOR THE INHIBITION OF CELL PROLIFERATION F. HOFFMANN-LA ROCHE AG (CH) 1999-09-23 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 (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-20130303516-A1 NOVEL TRIAZINE COMPOUNDS MTOR, MAPKAP1, PIK3R5 CA1 4784/4885CA2 4290/4885ALDH1A1 3791/4885
US-20030207899-A1 Heterocyclylaminomethyloxazo-lidinones as antibacterials HDHD5, CYP8B1, LSS CA1 3679/4885CA2 3651/4885ALDH1A1 1293/4885
US-20030225107-A1 CYCLOPROPYL CONTAINING OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF ALAD, OXA1L, ECI1 CA1 911/4885CA2 535/4885ALDH1A1 824/4885

“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.