SCHEMBL3820596

SCHEMBL3820596

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

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 2/20 0.53
TPSD1 Q9BZJ3 2/20 0.53
TPSG1 Q9NRR2 2/20 0.53
EPOR P19235 4/20 0.47
FOLH1 Q04609 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CPB1 P15086 1/20 0.39
CPB2 Q96IY4 1/20 0.39
MAPT P10636 1/20 0.39
SYK P43405 1/20 0.39
LTA4H P09960 1/20 0.38
ITGB3 P05106 4/20 0.38
ITGA2B P08514 4/20 0.38

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
SCHEMBL375887 1.00 TPSAB1 (0.53) TPSAB1TPSD1TPSG1EPORFOLH1
SCHEMBL4150947 1.00 TPSAB1 (0.53) TPSAB1TPSD1TPSG1EPORFOLH1
SCHEMBL28480221 0.97 TPSAB1 (0.52) TPSAB1TPSD1TPSG1EPORFOLH1
SCHEMBL5712142 0.97 TPSAB1 (0.52) TPSAB1TPSD1TPSG1EPORFOLH1
SCHEMBL1021829 0.97 TPSAB1 (0.52) TPSAB1TPSD1TPSG1EPORFOLH1
SCHEMBL7785339 0.93 TPSAB1 (0.47) TPSAB1TPSD1TPSG1EPORFOLH1
SCHEMBL5692891 0.91 EPOR (0.55) TPSAB1TPSD1TPSG1EPORFOLH1
SCHEMBL1491987 0.91 EPOR (0.51) TPSAB1TPSD1TPSG1EPORFOLH1
SCHEMBL22804052 0.91 EPOR (0.51) TPSAB1TPSD1TPSG1EPORFOLH1
SCHEMBL3776750 0.91 EPOR (0.51) TPSAB1TPSD1TPSG1EPORFOLH1

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 16 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
EP-3432934-B1 PRODRUGS OF CYTOTOXIC AGENTS WITH ENZYMATICALLY CLEAVABLE GROUPS Bayer Pharma AG (DE) 2022-02-23 EP disclosed
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-3432934-A1 PRODRUGS OF CYTOTOXIC ACTIVE AGENTS HAVING ENZYMATICALLY CLEAVABLE GROUPS Bayer Pharma Aktiengesellschaft (DE) 2019-01-30 EP disclosed
EP-3313525-A1 ANTIBODY DRUG CONJUGATES OF KINESIN SPINDEL PROTEIN (KSP) INHIBITORS WITH ANTI-B7H3-ANTIBODIES Bayer Pharma Aktiengesellschaft (DE) 2018-05-02 EP disclosed
EP-3313522-A1 ANTIBODY DRUG CONJUGATES OF KINESIN SPINDEL PROTEIN (KSP) INHIBITORS WITH ANTI-B7H3-ANTIBODIES Bayer Pharma Aktiengesellschaft (DE) 2018-05-02 EP disclosed
EP-3310440-A1 ANTIBODY DRUG CONJUGATES (ADCS) AND ANTIBODY PRODRUG CONJUGATES (APDCS) WITH ENZYMATICALLY CLEAVABLE GROUPS Bayer Pharma Aktiengesellschaft (DE) 2018-04-25 EP disclosed
EP-3233127-A1 ANTIBODY-DRUG CONJUGATES (ADCS) OF KSP INHIBITORS WITH AGLYCOSYLATED ANTI-TWEAKR ANTIBODIES Bayer Pharma Aktiengesellschaft (DE) 2017-10-25 EP disclosed
WO-2017162663-A1 PRODRUGS OF CYTOTOXIC ACTIVE AGENTS HAVING ENZYMATICALLY CLEAVABLE GROUPS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-28 WO disclosed
WO-2016207103-A1 ANTIBODY DRUG CONJUGATES OF KINESIN SPINDEL PROTEIN (KSP) INHIBITORS WITH ANTI-B7H3-ANTIBODIES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-29 WO disclosed
WO-2016207104-A1 ANTIBODY DRUG CONJUGATES OF KINESIN SPINDEL PROTEIN (KSP) INHIBITORS WITH ANTI-B7H3-ANTIBODIES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-29 WO disclosed
WO-2016207089-A1 ANTIBODY DRUG CONJUGATES (ADCS) AND ANTIBODY PRODRUG CONJUGATES (APDCS) WITH ENZYMATICALLY CLEAVABLE GROUPS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-29 WO disclosed
WO-2016096610-A1 ANTIBODY-DRUG CONJUGATES (ADCS) OF KSP INHIBITORS WITH AGLYCOSYLATED ANTI-TWEAKR ANTIBODIES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-06-23 WO disclosed
EP-1625153-B1 ACYLATED LYSOBACTIN-TYPE NONADEPSIPEPTIDES AICURIS GMBH & CO KG (DE) 2009-08-26 EP disclosed
US-5508432-A TREATING GASTROINTESTINAL DISORDERS, CENTRAL NERVOUS SYSTEM DISORDERS GLAXO WELLCOME INC. (US) 1996-04-16 US disclosed
US-5380872-A Appetite suppresant, gall bladder disorders, CNS disorders GLAXO INC. (US) 1995-01-10 US disclosed