Sugi Predict

Sugi Predict / Compounds / SCHEMBL1021830

SCHEMBL1021830

SCHEMBL1021830

CC(C)(C)OC(=O)N[C@@H](CCCN)C(=O)OC(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 4/20 0.50
▸ PPARA Q07869 2/20 0.50
▸ KLK7 P49862 1/20 0.49
▸ KLK5 Q9Y337 1/20 0.49
▸ CTSS P25774 4/20 0.47
▸ SYK P43405 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ PRSS1 P07477 1/20 0.47
▸ PRSS2 P07478 1/20 0.47
▸ PRSS3 P35030 1/20 0.47
▸ TPSAB1 Q15661 1/20 0.47
▸ PPARG P37231 1/20 0.46
▸ CTSL P07711 1/20 0.46
▸ CTSB P07858 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
SCHEMBL3820597 0.97 KLK7 (0.50) CTSKPPARAKLK7KLK5CTSS
SCHEMBL375888 0.97 KLK7 (0.50) CTSKPPARAKLK7KLK5CTSS
SCHEMBL1022361 0.91 PRSS1 (0.52) CTSKKLK7KLK5CTSSSYK
Lysine SCHEMBL1024011 0.91 PPARA (0.47) CTSKPPARAKLK7KLK5MAPT
Hydrochloric Acid SCHEMBL7974895 0.90 PPARA (0.53) CTSKPPARAKLK7KLK5CTSS
SCHEMBL7511111 0.88 KLK7 (0.53) CTSKPPARAKLK7KLK5CTSS
SCHEMBL1023797 0.87 KLK7 (0.47) CTSKPPARAKLK7KLK5CTSS
Hydrochloric Acid SCHEMBL26119693 0.87 KLK7 (0.52) CTSKPPARAKLK7KLK5CTSS
SCHEMBL8955197 0.86 PRSS1 (0.55) CTSKKLK7KLK5CTSSSYK
SCHEMBL27589883 0.86 PRSS1 (0.55) CTSKKLK7KLK5CTSSSYK

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-1697400-B1 BIPHENYL-SUBSTITUTED ANTIBACTERIAL MACROCYCLES AICURIS GMBH & CO KG (DE) 2011-05-25 — — EP disclosed
EP-1797110-B1 ANTIBACTERIAL AMIDE MACROCYCLES IV AICURIS GMBH & CO KG (DE) 2011-01-12 — — EP disclosed
US-20100226917-A1 METHODS FOR THE TREATMENT OF HEMATOLOGIC MALIGNANCIES ASTRAZENECA AB (SE) 2010-09-09 — — US disclosed
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 — — US disclosed
US-7655643-B2 Antibacterial macrocycles with substituted biphenyl AICURIS GMBH & CO. KG (DE) 2010-02-02 — — US disclosed
EP-2119702-A1 AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-11-18 — — EP disclosed
US-20090275570-A1 SUBSTITUTED HETEROCYCLES AND THEIR USE AS CHK1, PDK1 AND PAK INHIBITORS ASTRAZENECA AB (SE) 2009-11-05 — — US disclosed
EP-1866291-B1 ANTIBACTERIAL AMIDE MACROCYCLES VI AICURIS GMBH & CO KG (DE) 2009-07-15 — — EP disclosed
US-20080306040-A1 Antibacterial amide macrocycles VII AICURIS GMBH & CO. KG (DE) 2008-12-11 — — US disclosed
US-20080300231-A1 Antibacterial amide macrocycles VI BAYER HEALTHCARE AG (DE) 2008-12-04 — — US disclosed
US-7446102-B2 Antibacterial amide macrocycles IV AICURIS GMBH & CO. KG (DE) 2008-11-04 — — US disclosed
US-20080076745-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV AICURIS GMBH & CO. KG (DE) 2008-03-27 — — US disclosed
EP-1869068-A1 ANTIBACTERIAL AMIDE-MACROCYCLES V AiCuris GmbH & Co. KG (DE) 2007-12-26 — — EP disclosed
US-20070099885-A1 Antibacterial macrocycles with substituted biphenyl AICURIS GMBH & CO. KG (DE) 2007-05-03 — — US disclosed
WO-2006103015-A1 ANTIBACTERIAL AMIDE-MACROCYCLES V AICURIS GMBH & CO. KG (DE) 2006-10-05 — — WO disclosed
EP-1258476-B1 Alpha-amino acid derivatives, method for their preparation and their use as dipeptidyl-peptidase IV inhibitors (DPP IV) SERVIER LAB (FR) 2006-06-28 — — EP disclosed
EP-1245568-B1 Sulfonyl derivatives of amino acids and their use as inhibitors of dipeptidyl-peptidase IV (DPP IV) SERVIER LAB (FR) 2006-01-18 — — EP disclosed
WO-2005118613-A2 ANTIBACTERIAL AMIDE MACROCYCLES AICURIS GMBH & CO.KG (DE) 2005-12-15 — — WO disclosed
US-20050256037-A1 Antibacterial amide macrocyles BAYER HEALTHCARE AG (DE) 2005-11-17 — — US disclosed
EP-0454302-A2 Tuftsin derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-10-30 — — 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 (8 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-20080300231-A1 Antibacterial amide macrocycles VI AADAC, AAAS, NOD2 CTSK 184/4885PPARA 60/4885KLK7 3877/4885
US-20090275570-A1 SUBSTITUTED HETEROCYCLES AND THEIR USE AS CHK1, PDK1 AND PAK INHIBITORS CHEK1, PDK1, CHEK2 CTSK 2952/4885PPARA 2170/4885KLK7 3066/4885
US-20080076745-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV NOD2, AAAS, AADAC CTSK 127/4885PPARA 169/4885KLK7 3789/4885
US-20070099885-A1 Antibacterial macrocycles with substituted biphenyl NOD2, AHR, BCL2 CTSK 730/4885PPARA 115/4885KLK7 4055/4885
US-20050256037-A1 Antibacterial amide macrocyles AADAC, PAM, NOD2 CTSK 155/4885PPARA 80/4885KLK7 3806/4885
US-20100226917-A1 METHODS FOR THE TREATMENT OF HEMATOLOGIC MALIGNANCIES CHEK1, CHEK2, MCL1 CTSK 2626/4885PPARA 3958/4885KLK7 2323/4885
US-20080306040-A1 Antibacterial amide macrocycles VII AADAC, AAAS, NOD2 CTSK 93/4885PPARA 85/4885KLK7 2611/4885
US-20100056497-A1 AMIDE DERIVATIVE REN, AGTR1, AGTR2 CTSK 1472/4885PPARA 2179/4885KLK7 1700/4885

“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.