SCHEMBL737851

SCHEMBL737851

COC(=O)C(O)[C@@H](N)CC(C)C

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.53
DNPEP Q9ULA0 1/20 0.53
PEPD P12955 3/20 0.46
XPNPEP1 Q9NQW7 2/20 0.44
SLC7A5 Q01650 1/20 0.40
LTA4H P09960 1/20 0.40
MME P08473 1/20 0.38
METAP2 P50579 1/20 0.36
METAP1 P53582 1/20 0.36
FOLH1 Q04609 1/20 0.36
LAP3 P28838 2/20 0.36
CA12 O43570 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
IL1RN P18510 1/20 0.36
ERAP2 Q6P179 1/20 0.36

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
Hydrochloric Acid SCHEMBL737850 0.98 ANPEP (0.51) ANPEPDNPEPPEPDXPNPEP1SLC7A5
SCHEMBL8355295 0.82 ANPEP (0.38) ANPEPDNPEPPEPDXPNPEP1LTA4H
SCHEMBL9706048 0.82 ANPEP (0.47) ANPEPDNPEPPEPDXPNPEP1SLC7A5
SCHEMBL30906710 0.81 ANPEP (0.51) ANPEPDNPEPMMEFOLH1TAS1R3
SCHEMBL7295011 0.80 ANPEP (0.46) ANPEPDNPEPPEPDXPNPEP1SLC7A5
Hydrochloric Acid SCHEMBL3895369 0.80 LTA4H (0.38) ANPEPDNPEPPEPDXPNPEP1LTA4H
Hydrochloric Acid SCHEMBL3895377 0.80 LTA4H (0.38) ANPEPDNPEPPEPDXPNPEP1LTA4H
SCHEMBL23496356 0.78 LTA4H (0.42) LTA4HMETAP2METAP1
Hydrochloric Acid SCHEMBL23496385 0.77 LTA4H (0.41) LTA4HMETAP2METAP1
SCHEMBL6947237 0.77 MME (0.39) ANPEPDNPEPMMEFOLH1CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1498411-B9 DIKETOHYDRAZINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2013-12-04 EP disclosed
EP-1498411-B1 DIKETOHYDRAZINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2013-01-16 EP disclosed
US-20120077871-A1 9, 10-Alpha, Alpha-OH-Taxane Analogs and Methods for Production Thereof TAPESTRY PHARMACEUTICALS, INC. (US) 2012-03-29 US disclosed
US-8138182-B2 Diketohydrazine derivative compounds and drugs containing the compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2012-03-20 US disclosed
US-8138182-B2 Diketohydrazine derivative compounds and drugs containing the compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2012-03-20 US disclosed
US-20100087442-A1 DIKETOHYDRAZINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD (JP) 2010-04-08 US disclosed
US-20100087442-A1 DIKETOHYDRAZINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD (JP) 2010-04-08 US disclosed
US-7655804-B2 N-[(1S)-3-{(2Z)-2-[(4R)-3,4-dimethyl-1,3-thiazolidin-2-ylidene]hydrazino}-2,3-dioxo-1-(tetrahydro-2H-pyran-4-yl)propyl]cycloheptanecarboxamide; cysteine protease inhibitors; for the treatment of inflammatory, immune, ischemic, respiratory,circulatory, neuronal, blood, hepatic and metabolic diseases ONO PHARMACEUTICAL CO., LTD. (JP) 2010-02-02 US disclosed
US-7655804-B2 N-[(1S)-3-{(2Z)-2-[(4R)-3,4-dimethyl-1,3-thiazolidin-2-ylidene]hydrazino}-2,3-dioxo-1-(tetrahydro-2H-pyran-4-yl)propyl]cycloheptanecarboxamide; cysteine protease inhibitors; for the treatment of inflammatory, immune, ischemic, respiratory,circulatory, neuronal, blood, hepatic and metabolic diseases ONO PHARMACEUTICAL CO., LTD. (JP) 2010-02-02 US disclosed
US-20070004642-A1 Oxadiazole derivatives and drugs containing these derivatives as the active ingredient ONO PHARMACEUTICAL CO., LTD. 2007-01-04 US disclosed
US-20070004642-A1 Oxadiazole derivatives and drugs containing these derivatives as the active ingredient ONO PHARMACEUTICAL CO., LTD. 2007-01-04 US disclosed
US-7144901-B2 Oxadiazole derivatives and drugs containing these derivatives as the active ingredient ONO PHARMACEUTICAL CO.,LTD. (JP) 2006-12-05 US disclosed
US-20060111303-A1 Diketohydrazine derivative compounds and drugs contaiing the compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-05-25 US disclosed
EP-1498411-A1 DIKETOHYDRAZINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2005-01-19 EP disclosed
US-6797720-B2 1,3,4-oxadiazoline derivative and an agent comprising its derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2004-09-28 US disclosed
EP-1408031-A1 Pyrolidine derivatives useful in treatment of hepatitis C virus infection 3 D Gene Pharma (FR) 2004-04-14 EP disclosed
US-20030166573-A1 Such as (2S)-N-((2S)-4-methyl-1-(5-(1-methylethylthio)1,3,4-oxadiazol-2-yl)-1-oxo-2 -pentyl)-2-benzyloxycarbonylamino-4-methylpentanamide for inhibition of cysteine proteases; antiinflammatory agents ONO PHARMACEUTICAL CO., LTD. (JP) 2003-09-04 US disclosed
US-20030166574-A1 1,3,4-Oxadiazoline derivatives and drugs containing these derivatives as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2003-09-04 US disclosed
EP-1234820-A1 OXADIAZOLE DERIVATIVES AND DRUGS CONTAINING THESE DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-08-28 EP disclosed
EP-1234821-A1 1,3,4-OXADIAZOLINE DERIVATIVES AND DRUGS CONTAINING THESE DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-08-28 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 (6 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-20100087442-A1 DIKETOHYDRAZINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT SERPINB1, CTSZ, ELANE ANPEP 131/4885DNPEP 11/4885PEPD 9/4885
US-20030166574-A1 1,3,4-Oxadiazoline derivatives and drugs containing these derivatives as active ingredient ACIN1, CASP7, SERPINE1 ANPEP 585/4885DNPEP 559/4885PEPD 148/4885
US-20120077871-A1 9, 10-Alpha, Alpha-OH-Taxane Analogs and Methods for Production Thereof TECR, ADCY9, AKR1C3 ANPEP 4284/4885DNPEP 4431/4885PEPD 4344/4885
US-20070004642-A1 Oxadiazole derivatives and drugs containing these derivatives as the active ingredient ACIN1, CYCS, CASP7 ANPEP 579/4885DNPEP 960/4885PEPD 233/4885
US-20060111303-A1 Diketohydrazine derivative compounds and drugs contaiing the compounds as the active ingredient SERPINB1, CTSZ, SERPINE1 ANPEP 174/4885DNPEP 25/4885PEPD 18/4885
US-20030166573-A1 Such as (2S)-N-((2S)-4-methyl-1-(5-(1-methylethylthio)1,3,4-oxadiazol-2-yl)-1-oxo-2 -pentyl)-2-benzyloxycarbonylamino-4-methylpentanamide for inhibition of cysteine proteases; antiinflammatory agents ACIN1, CASP7, ASNS ANPEP 42/4885DNPEP 55/4885PEPD 102/4885

“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.