SCHEMBL346978

SCHEMBL346978

O=C(Cl)C[C@H]1C(=O)OCN1C(=O)OCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.69
PSEN1 P49768 1/20 0.48
PSEN2 P49810 1/20 0.48
APH1B Q8WW43 1/20 0.48
NCSTN Q92542 1/20 0.48
APH1A Q96BI3 1/20 0.48
PSENEN Q9NZ42 1/20 0.48
F2 P00734 2/20 0.43
ELANE P08246 2/20 0.43
CTSG P08311 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTR2C P28335 1/20 0.41

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
SCHEMBL7416452 1.00 USP2 (0.69) USP2PSEN1PSEN2APH1BNCSTN
SCHEMBL7797653 1.00 USP2 (0.69) USP2PSEN1PSEN2APH1BNCSTN
SCHEMBL9494373 0.90 USP2 (0.72) USP2PSEN1PSEN2APH1BNCSTN
SCHEMBL5172119 0.90 USP2 (0.72) USP2PSEN1PSEN2APH1BNCSTN
SCHEMBL346937 0.90 USP2 (0.72) USP2PSEN1PSEN2APH1BNCSTN
Hydrochloric Acid SCHEMBL5171901 0.89 USP2 (0.71) USP2PSEN1PSEN2APH1BNCSTN
Hydrochloric Acid SCHEMBL5171904 0.89 USP2 (0.71) USP2PSEN1PSEN2APH1BNCSTN
SCHEMBL5711260 0.88 USP2 (0.61) USP2PSEN1PSEN2APH1BNCSTN
SCHEMBL7628748 0.88 USP2 (0.61) USP2PSEN1PSEN2APH1BNCSTN
SCHEMBL5711389 0.88 USP2 (0.61) USP2PSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015933-A1 Spirocyclic nitriles as protease inhibitors SANOFI-AVENTIS (FR) 2012-01-19 US disclosed
US-8039480-B2 Spirocyclic nitriles as protease inhibitors SANOFI-AVENTIS (FR) 2011-10-18 US disclosed
EP-1781602-A1 4-SULFONYL-SUBSTITUTED BENZOYLALANINE DERIVATIVES USEFUL AS KYNURENINE-AMINOTRANSFERASE INHIBITORS PELLICCIARI, Roberto (IT) 2007-05-09 EP disclosed
EP-1103560-B1 NOVEL THIAZOLIDINE DERIVATIVES SANTEN PHARMACEUTICAL CO LTD (JP) 2006-12-27 EP disclosed
WO-2006013085-A1 4-SULFONYL-SUBSTITUTED BENZOYLALANINE DERIVATES USEFUL AS KYNURENINE-AMINOTRANSFERASE INHIBITORS PELLICCIARI ROBERTO (IT) 2006-02-09 WO disclosed
US-6410576-B1 ANTIINFLAMMATORY AGENTS; CARDIOVASCULAR DISORDERS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-06-25 US disclosed
US-20010008947-A1 2-AMINO-4-PHENYL-4-OXO-BUTYRIC ACID DERIVATIVES VARASI MARIO (IT) 2001-07-19 US disclosed
EP-1103560-A1 NOVEL THIAZOLIDINE DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-05-30 EP disclosed
EP-0663899-B1 SUBSTITUTED KYNURENINES, A PROCESS FOR THEIR PREPARATION, AND USE AS MEDICAMENTS UNIV MARYLAND (US) 1999-06-30 EP disclosed
EP-0919538-A1 Substituted kynurenines, a process for their preparation, and use as medicaments THE UNIVERSITY OF MARYLAND AT BALTIMORE (US) 1999-06-02 EP disclosed
EP-0663899-A4 SUBSTITUTED KYNURENINES, A PROCESS FOR THEIR PREPARATION, AND USE AS MEDICAMENTS. UNIV MARYLAND (US) 1996-01-17 EP disclosed
US-5484814-A NMDA antagonists MERRELL DOW PHARMACEUTICALS INC. (US) 1996-01-16 US disclosed
US-5470870-A New class of excitatory amino acid antagonist for epilepsy, anxiety or stroke MERRELL DOW PHARMACEUTICALS INC. (US) 1995-11-28 US disclosed
EP-0663899-A1 SUBSTITUTED KYNURENINES, A PROCESS FOR THEIR PREPARATION, AND USE AS MEDICAMENTS THE UNIVERSITY OF MARYLAND AT BALTIMORE (US) 1995-07-26 EP disclosed
WO-1995004714-A1 SUBSTITUTED KYNURENINES, A PROCESS FOR THEIR PREPARATION, AND USE AS MEDICAMENTS UNIVERSITY OF MARYLAND AT BALTIMORE (US) 1995-02-16 WO disclosed
EP-0501378-B1 NMDA Antagonists MERRELL DOW PHARMA (US) 1995-01-11 EP disclosed
US-5360814-A NMDA antagonists MERRELL DOW PHARMACEUTICALS INC. (US) 1994-11-01 US disclosed
EP-0532545-A1 NICOTINYLALANINE AS A THERAPEUTIC AGENT ACTING ON THE CENTRAL NERVOUS SYSTEM FIDIA S.p.A. (IT) 1993-03-24 EP disclosed
EP-0501378-A1 NMDA Antagonists MERRELL DOW PHARMACEUTICALS INC. (US) 1992-09-02 EP disclosed
WO-1991017750-A1 NICOTINYLALANINE AS A THERAPEUTIC AGENT ACTING ON THE CENTRAL NERVOUS SYSTEM FIDIA S.P.A. (IT) 1991-11-28 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-20120015933-A1 Spirocyclic nitriles as protease inhibitors CTRL, SERPINB1, PREP USP2 763/4885PSEN1 699/4885PSEN2 1379/4885
US-20010008947-A1 2-AMINO-4-PHENYL-4-OXO-BUTYRIC ACID DERIVATIVES KYNU, KMO, ABAT USP2 861/4885PSEN1 70/4885PSEN2 47/4885

“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.