SCHEMBL5650822

SCHEMBL5650822

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.61
ATM Q13315 1/20 0.57
ACE P12821 1/20 0.56
CTSS P25774 3/20 0.55
CTSK P43235 2/20 0.55
CTSL P07711 1/20 0.55
CTSB P07858 1/20 0.55
PPARA Q07869 2/20 0.51
PPARG P37231 1/20 0.51
PSEN1 P49768 3/20 0.51
PSEN2 P49810 3/20 0.51
APH1B Q8WW43 3/20 0.51
NCSTN Q92542 3/20 0.51
APH1A Q96BI3 3/20 0.51
PSENEN Q9NZ42 3/20 0.51
APP P05067 4/20 0.50
AKT1 P31749 1/20 0.48

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
SCHEMBL3447452 1.00 KLK5 (0.61) KLK5ATMACECTSSCTSK
SCHEMBL288838 1.00 KLK5 (0.61) KLK5ATMACECTSSCTSK
SCHEMBL3837973 1.00 KLK5 (0.61) KLK5ATMACECTSSCTSK
SCHEMBL743357 1.00 KLK5 (0.61) KLK5ATMACECTSSCTSK
SCHEMBL15775826 1.00 KLK5 (0.61) KLK5ATMACECTSSCTSK
SCHEMBL825622 1.00 KLK5 (0.61) KLK5ATMACECTSSCTSK
SCHEMBL7356486 1.00 KLK5 (0.61) KLK5ATMACECTSSCTSK
SCHEMBL4275825 0.92 KLK5 (0.58) KLK5ATMACECTSSCTSK
SCHEMBL4955577 0.92 KLK5 (0.58) KLK5ATMACECTSSCTSK
SCHEMBL6343884 0.90 KLK5 (0.60) KLK5ATMACECTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7307184-B2 Processes for preparing oxazolidinone derivatives of β-hydroxyethlamine compounds and for preparing β-hydroxyethlamine compounds KANEKA CORPORATION (JP) 2007-12-11 US disclosed
US-20070066664-A1 HIV PROTEASE INHIBITORS, COMPOSITIONS CONTAINING THE SAME, THEIR PHARMACEUTICAL USES, MATERIALS FOR THEIR SYNTHESIS PFIZER INC 2007-03-22 US disclosed
US-20070066664-A1 HIV PROTEASE INHIBITORS, COMPOSITIONS CONTAINING THE SAME, THEIR PHARMACEUTICAL USES, MATERIALS FOR THEIR SYNTHESIS PFIZER INC 2007-03-22 US disclosed
US-7179918-B2 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis AGOURON PHARMACEUTICALS, INC. (US) 2007-02-20 US disclosed
US-7179918-B2 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis AGOURON PHARMACEUTICALS, INC. (US) 2007-02-20 US disclosed
US-7169932-B2 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses, material for their synthesis PFIZER INC. (US) 2007-01-30 US disclosed
US-7169932-B2 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses, material for their synthesis PFIZER INC. (US) 2007-01-30 US disclosed
US-20070021354-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis CANAN KOCH STACIE S 2007-01-25 US disclosed
US-20070021354-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis CANAN KOCH STACIE S 2007-01-25 US disclosed
EP-1739082-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis Agouron Pharmaceuticals , Inc. (US) 2007-01-03 EP disclosed
US-20020026081-A1 Process for producing alpha-aminoketone derivatives AJINOMOTO CO., INC. (JP) 2002-02-28 US disclosed
US-6222043-B1 COUPLING 2-AMIDO-THIAZOLE DERIVATIVE WITH 2-PHENYL4-(PROTECTED)AMINO-BUTYRIC ACID; DEPROTECTING AMINO PROTECTING GROUP; ACYLATING PRODUCT WITH CARBOXYLIC ACID CONTAINING CARBOCYCLIC OR HETEROCYCLIC GROUP; DEPROTECTING JAPAN ENERGY CORPORATION (JP) 2001-04-24 US disclosed
US-6087530-A Process for preparing β-amino-α-hydroxy acid derivatives KANEKA CORPORATION (JP) 2000-07-11 US disclosed
US-6020518-A Process for preparing β-amino-α-hydroxy acid derivatives KANEKA CORPORATION (JP) 2000-02-01 US disclosed
EP-0930292-A1 PROCESS FOR PREPARING $g(b)-AMINO-$g(a)-HYDROXY ACID DERIVATIVES KANEKA CORPORATION (JP) 1999-07-21 EP disclosed
EP-0574135-B1 Process for producing peptide derivatives and salts thereof JAPAN ENERGY CORP (JP) 1998-11-18 EP disclosed
US-5644028-A Process for producing peptide derivatives and salts therefor JAPAN ENERGY CORPORATION (JP) 1997-07-01 US disclosed
US-5581007-A Process for preparing optically active allophenylnorstatin derivatives TAKASAGO INTERNATIONAL CORPORATION (JP) 1996-12-03 US disclosed
EP-0729939-A2 Process for preparing optically active allophenylnorstatin derivatives, and intermediates for use therein Takasago International Corporation (JP) 1996-09-04 EP disclosed
EP-0574135-A1 Process for producing peptide derivatives and salts thereof JAPAN ENERGY CORPORATION (JP) 1993-12-15 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 (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-20070021354-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis SERPINB1, PEPD, PREP KLK5 230/4885ATM 3773/4885ACE 15/4885
US-20070066664-A1 HIV PROTEASE INHIBITORS, COMPOSITIONS CONTAINING THE SAME, THEIR PHARMACEUTICAL USES, MATERIALS FOR THEIR SYNTHESIS SERPINB1, PEPD, PREP KLK5 216/4885ATM 3814/4885ACE 14/4885
US-20020026081-A1 Process for producing alpha-aminoketone derivatives AADAT, BCKDK, BCAT1 KLK5 665/4885ATM 2309/4885ACE 2089/4885

“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.