Sugi Predict

Sugi Predict / Compounds / SCHEMBL909961

SCHEMBL909961

SCHEMBL909961

CCCCOC(=O)NC(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
SCHEMBL5752780 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-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
US-6909005-B1 One post synthesis of 2-oxazolidinone derivatives ASTRAZENECA UK LIMITED (GB) 2005-06-21 — — US disclosed
US-20050101779-A1 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2005-05-12 — — US disclosed
EP-1477482-A1 NOVEL PHENYLALANINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2004-11-17 — — EP disclosed
US-20030220268-A1 New phenylalanine derivatives AJINOMOTO CO. INC (JP) 2003-11-27 — — US 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-1288205-A1 NOVEL PHENYLALANINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2003-03-05 — — EP disclosed
EP-0843672-B1 ONE POT SYNTHESIS OF 2-OXAZOLIDINONE DERIVATIVES ASTRAZENECA AB (SE) 2002-11-13 — — EP disclosed
EP-1227095-A2 A process for the purification of (S)-4-((3-(dimethylamino)ethyl)-1H-indol-5yl)-methyl)-2-oxazolidinone AstraZeneca AB (SE) 2002-07-31 — — EP disclosed
EP-0843673-B1 ONE POT SYNTHESIS OF 2-OXAZOLIDINONE DERIVATIVES ASTRAZENECA AB (SE) 2001-11-07 — — EP 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 (5 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-20050101779-A1 Phenylalanine derivatives ITGB4, ITGA4, ITGB3 ITGB3 3/4885ITGA2B 16/4885ITGB1 8/4885
US-20110065918-A1 NEW PHENYLALANINE DERIVATIVES ITGB4, ITGA4, ITGAV ITGB3 4/4885ITGA2B 18/4885ITGB1 13/4885
US-20030220268-A1 New phenylalanine derivatives ITGB4, ITGA4, ITGB3 ITGB3 3/4885ITGA2B 14/4885ITGB1 5/4885
US-20120253041-A1 NEW PHENYLALANINE DERIVATIVES ITGB4, ITGA4, ITGAV ITGB3 4/4885ITGA2B 18/4885ITGB1 13/4885
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.