SCHEMBL5752780

SCHEMBL5752780

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

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.52
ITGA2B P08514 12/20 0.52
ITGB1 P05556 3/20 0.49
ITGA4 P13612 3/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
PDE4D Q08499 1/20 0.49
CA2 P00918 1/20 0.47
ACE P12821 2/20 0.46
ACE2 Q9BYF1 2/20 0.46
MME P08473 1/20 0.46
CPA1 P15085 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
SCHEMBL909961 1.00 ITGB3 (0.52) ITGB3ITGA2BITGB1ITGA4LMNA
SCHEMBL7495527 0.90 TSHR (0.49) LMNACYP1A2CYP3A4CYP2C9TSHR
SCHEMBL2252892 0.88 FOLH1 (0.56) ITGB3ITGA2BITGB1ITGA4LMNA
SCHEMBL2252894 0.88 FOLH1 (0.56) ITGB3ITGA2BITGB1ITGA4LMNA
SCHEMBL5085763 0.88 ITGB1 (0.56) ITGB3ITGA2BITGB1ITGA4ACE
SCHEMBL5086266 0.88 ITGB1 (0.56) ITGB3ITGA2BITGB1ITGA4ACE
SCHEMBL844471 0.88 ITGB3 (0.58) ITGB3ITGA2BITGB1ITGA4ACE
SCHEMBL7758997 0.88 ITGB3 (0.58) ITGB3ITGA2BITGB1ITGA4ACE
SCHEMBL2185240 0.88 ITGB3 (0.58) ITGB3ITGA2BITGB1ITGA4ACE
SCHEMBL8023605 0.87 ITGB1 (0.52) ITGB3ITGA2BITGB1ITGA4

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 22 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-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 claimed
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 claimed
US-20060264643-A1 One Pot Synthesis of 2-Oxazolidinone Derivatives ASTRAZENECA UK LIMITED (GB) 2006-11-23 US disclosed
EP-1227095-B1 A process for the purification of (S)-4-((3-(dimethylamino)ethyl)-1H-indol-5yl)-methyl)-2-oxazolidinone ASTRAZENECA AB (SE) 2006-05-03 EP disclosed
US-20050187274-A1 One pot synthesis of 2-oxazolidinone derivatives PATEL RAJNIKANT (GB) 2005-08-25 US disclosed
US-6909005-B1 One post synthesis of 2-oxazolidinone derivatives ASTRAZENECA UK LIMITED (GB) 2005-06-21 US disclosed
WO-2004063175-A1 A NOVEL AND AN IMPROVED PROCESS FOR THE PREPARATION OF (S)-4-(4-AMINOBENZYL)-2- OXAZOLIDINONE NATCO PHARMA LIMITED (IN) 2004-07-29 WO disclosed
US-20030162799-A1 Carbocyclic oxo, carboxy amines such as 3-(4-(3,5-Dichloro-4-pyridylcarboxamido)phenyl)-2-(2-propylamino-3,4 -dioxocyclobut-1-enyl)amino)propanoic acid, used as integrin antagonists; antiinflammatory agents CELLTECH R&D LIMITED (GB) 2003-08-28 US disclosed
EP-1290011-A1 MELPHALAN DERIVATIVES AND THEIR USE AS CANCER CHEMOTHERAPEUTIC DRUGS Oncopeptides AB (SE) 2003-03-12 EP disclosed
EP-0843672-B1 ONE POT SYNTHESIS OF 2-OXAZOLIDINONE DERIVATIVES ASTRAZENECA AB (SE) 2002-11-13 EP 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
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-1997006162-A1 ONE POT SYNTHESIS OF 2-OXAZOLIDINONE DERIVATIVES ZENECA LIMITED (GB) 1997-02-20 WO disclosed
WO-1997006163-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 (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-20060264643-A1 One Pot Synthesis of 2-Oxazolidinone Derivatives AZI2, INTS6, NISCH ITGB3 2513/4885ITGA2B 2137/4885ITGB1 2227/4885
US-20050187274-A1 One pot synthesis of 2-oxazolidinone derivatives AZI2, INTS6, NISCH ITGB3 2474/4885ITGA2B 2119/4885ITGB1 2197/4885
US-20030162799-A1 Carbocyclic oxo, carboxy amines such as 3-(4-(3,5-Dichloro-4-pyridylcarboxamido)phenyl)-2-(2-propylamino-3,4 -dioxocyclobut-1-enyl)amino)propanoic acid, used as integrin antagonists; antiinflammatory agents ICAM1, VCAM1, CCR1 ITGB3 10/4885ITGA2B 55/4885ITGB1 5/4885

“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.