SCHEMBL909810

SCHEMBL909810

CCCCOC(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.51
PPARG P37231 2/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
ALOX12 P18054 1/20 0.50
KMT2A Q03164 1/20 0.50
TGM2 P21980 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CTSL P07711 2/20 0.48
ITGB1 P05556 2/20 0.48
ITGA4 P13612 2/20 0.48
MGLL Q99685 1/20 0.47
ITGB3 P05106 6/20 0.46
ITGA2B P08514 6/20 0.46
PPARA Q07869 1/20 0.46

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
SCHEMBL909808 1.00 CA2 (0.51) CA2PPARGMEN1LMNAMAPT
SCHEMBL3821974 0.91 MEN1 (0.50) MEN1LMNAMAPTALOX12KMT2A
SCHEMBL5954165 0.91 MEN1 (0.50) MEN1LMNAMAPTALOX12KMT2A
SCHEMBL8002622 0.89 LMNA (0.48) MEN1LMNAMAPTALOX12KMT2A
SCHEMBL5026174 0.88 CA2 (0.55) CA2PPARGMEN1LMNAKMT2A
SCHEMBL8021733 0.88 MEN1 (0.47) PPARGMEN1LMNAMAPTALOX12
Hydrochloric Acid SCHEMBL27675903 0.87 CA2 (0.54) CA2PPARGMEN1LMNAKMT2A
Hydrochloric Acid SCHEMBL28059744 0.87 CA2 (0.54) CA2PPARGMEN1LMNAKMT2A
SCHEMBL4728709 0.87 MEN1 (0.47) PPARGMEN1LMNAMAPTALOX12
Iodide SCHEMBL8013938 0.87 LMNA (0.47) MEN1LMNAMAPTALOX12KMT2A

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0843672-B1 ONE POT SYNTHESIS OF 2-OXAZOLIDINONE DERIVATIVES ASTRAZENECA AB (SE) 2002-11-13 EP claimed
EP-0843673-B1 ONE POT SYNTHESIS OF 2-OXAZOLIDINONE DERIVATIVES ASTRAZENECA AB (SE) 2001-11-07 EP claimed
US-8426588-B2 Phenylalanine derivatives AJINOMOTO CO, INC. (JP) 2013-04-23 US disclosed
US-20120253041-A1 NEW PHENYLALANINE DERIVATIVES AJINOMOTO CO., INC. (JP) 2012-10-04 US disclosed
US-8222405-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2012-07-17 US disclosed
US-20110065918-A1 NEW PHENYLALANINE DERIVATIVES AJINOMOTO CO., INC. (JP) 2011-03-17 US disclosed
EP-1288205-B1 NOVEL PHENYLALANINE DERIVATIVES AJINOMOTO KK (JP) 2011-02-02 EP disclosed
US-7872125-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2011-01-18 US disclosed
EP-1477482-B1 NOVEL PHENYLALANINE DERIVATIVE AJINOMOTO KK (JP) 2010-04-14 EP disclosed
US-7605165-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2009-10-20 US disclosed
US-7153963-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2006-12-26 US disclosed
EP-0843673-B1 ONE POT SYNTHESIS OF 2-OXAZOLIDINONE DERIVATIVES ASTRAZENECA AB (SE) 2001-11-07 EP disclosed
US-6303791-B1 REACTING METHYL 4-NITRO-(L)-PHENYLALANINATE HYDROCHLORIDE WITH N-BUTYL CHLOROFORMATE TO FORM CARBAMATE, REDUCING NITRO GROUP TO AMINE AND ESTER GROUP TO ALCOHOL, CYCLIZING, FORMING DIAZONIUM SALT, REDUCING, PERFORMING FISCHER REACTION ZENECA LIMITED (GB) 2001-10-16 US disclosed
US-6160123-A One pot synthesis of 2-oxazolidinone derivatives ZENECA, LTD. (GB) 2000-12-12 US disclosed
WO-2000051976-A1 REGIOSELECTIVE SYNTHESIS OF DTPA DERIVATIVES IDEC PHARMACEUTICALS CORPORATION (US) 2000-09-08 WO disclosed
US-6084103-A FORMING A CARBAMATE FROM METHYL 4-NITRO-(L)-PHENYLALANINATE HYDROCHLORIDE; REDUCING THE NITRO AND ESTER GROUPS; RING CLOSURE FREE OF PHOSGENE; FORMING A DIAZONIUM SALT WITHOUT USING TIN CHLORIDE; FISCHER REACTION; MIGRAINES; 5HT1-AGONIST ZENECA LIMITED (GB) 2000-07-04 US disclosed
EP-0843673-A1 ONE POT SYNTHESIS OF 2-OXAZOLIDINONE DERIVATIVES ZENECA LIMITED (GB) 1998-05-27 EP disclosed
EP-0843672-A1 ONE POT SYNTHESIS OF 2-OXAZOLIDINONE DERIVATIVES ZENECA LIMITED (GB) 1998-05-27 EP disclosed
WO-1997006163-A1 ONE POT SYNTHESIS OF 2-OXAZOLIDINONE DERIVATIVES ZENECA LIMITED (GB) 1997-02-20 WO disclosed
WO-1997006162-A1 ONE POT SYNTHESIS OF 2-OXAZOLIDINONE DERIVATIVES ZENECA LIMITED (GB) 1997-02-20 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 (2 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-20110065918-A1 NEW PHENYLALANINE DERIVATIVES ITGB4, ITGA4, ITGAV CA2 4829/4885PPARG 2935/4885MEN1 4326/4885
US-20120253041-A1 NEW PHENYLALANINE DERIVATIVES ITGB4, ITGA4, ITGAV CA2 4829/4885PPARG 2935/4885MEN1 4326/4885

“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.