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SCHEMBL1021829

SCHEMBL1021829

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

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TPSAB1 Q15661 2/20 0.52
▸ TPSD1 Q9BZJ3 2/20 0.52
▸ TPSG1 Q9NRR2 2/20 0.52
▸ EPOR P19235 2/20 0.43
▸ L3MBTL1 Q9Y468 4/20 0.42
▸ FOLH1 Q04609 2/20 0.40
▸ SYK P43405 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ LTA4H P09960 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ PPARA Q07869 1/20 0.37
▸ ITGB3 P05106 1/20 0.37
▸ ITGA2B P08514 1/20 0.37

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
SCHEMBL28480221 1.00 TPSAB1 (0.52) TPSAB1TPSD1TPSG1EPORL3MBTL1
SCHEMBL5712142 1.00 TPSAB1 (0.52) TPSAB1TPSD1TPSG1EPORL3MBTL1
SCHEMBL375887 0.97 TPSAB1 (0.53) TPSAB1TPSD1TPSG1EPORL3MBTL1
SCHEMBL4150947 0.97 TPSAB1 (0.53) TPSAB1TPSD1TPSG1EPORL3MBTL1
SCHEMBL3820596 0.97 TPSAB1 (0.53) TPSAB1TPSD1TPSG1EPORL3MBTL1
SCHEMBL7785865 0.93 TPSAB1 (0.46) TPSAB1TPSD1TPSG1EPORL3MBTL1
SCHEMBL9574165 0.91 EPOR (0.46) TPSAB1TPSD1TPSG1EPORL3MBTL1
SCHEMBL4852056 0.91 EPOR (0.46) TPSAB1TPSD1TPSG1EPORL3MBTL1
SCHEMBL10477497 0.91 EPOR (0.46) TPSAB1TPSD1TPSG1EPORL3MBTL1
SCHEMBL7785339 0.90 TPSAB1 (0.47) TPSAB1TPSD1TPSG1EPORL3MBTL1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112110834-A Modified hydrophobic auxiliary material and preparation method and application thereof 浙江智达药业有限公司 2020-12-22 — — CN claimed
CN-112110834-A Modified hydrophobic auxiliary material and preparation method and application thereof 浙江智达药业有限公司 2020-12-22 — — CN disclosed
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-20080275018-A1 ANTIBACTERIAL AMIDE-MACROCYCLES V AICURIS GMBH & CO. KG (DE) 2008-11-06 — — 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
US-20070099885-A1 Antibacterial macrocycles with substituted biphenyl AICURIS GMBH & CO. KG (DE) 2007-05-03 — — US 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-0950658-A1 2-Pipirazinone-1-acetic acid dihydrochloride derivative used to inhibit platelet aggregation Takeda Chemical Industries, Ltd. (JP) 1999-10-20 — — EP 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 (9 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 TPSAB1 3937/4885TPSD1 4543/4885TPSG1 4531/4885
US-20090275570-A1 SUBSTITUTED HETEROCYCLES AND THEIR USE AS CHK1, PDK1 AND PAK INHIBITORS CHEK1, PDK1, CHEK2 TPSAB1 4041/4885TPSD1 4303/4885TPSG1 4400/4885
US-20080076745-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV NOD2, AAAS, AADAC TPSAB1 3589/4885TPSD1 4342/4885TPSG1 4397/4885
US-20070099885-A1 Antibacterial macrocycles with substituted biphenyl NOD2, AHR, BCL2 TPSAB1 2869/4885TPSD1 3615/4885TPSG1 3835/4885
US-20050256037-A1 Antibacterial amide macrocyles AADAC, PAM, NOD2 TPSAB1 3222/4885TPSD1 3414/4885TPSG1 4067/4885
US-20080275018-A1 ANTIBACTERIAL AMIDE-MACROCYCLES V ARG1, HRH3, H1-0 TPSAB1 3984/4885TPSD1 4010/4885TPSG1 4657/4885
US-20100226917-A1 METHODS FOR THE TREATMENT OF HEMATOLOGIC MALIGNANCIES CHEK1, CHEK2, MCL1 TPSAB1 3299/4885TPSD1 4258/4885TPSG1 2484/4885
US-20080306040-A1 Antibacterial amide macrocycles VII AADAC, AAAS, NOD2 TPSAB1 3461/4885TPSD1 4492/4885TPSG1 4247/4885
US-20100056497-A1 AMIDE DERIVATIVE REN, AGTR1, AGTR2 TPSAB1 351/4885TPSD1 692/4885TPSG1 3405/4885

“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.