SCHEMBL57550

SCHEMBL57550

CC(C)(C)OC(=O)N[C@H](C(=O)O)C(C)(C)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 9/20 0.49
CTSK P43235 8/20 0.49
CTSB P07858 2/20 0.47
CTSL P07711 1/20 0.47
PPARA Q07869 5/20 0.46
PPARG P37231 4/20 0.46
ATM Q13315 1/20 0.46
ACE P12821 1/20 0.45
PPARD Q03181 2/20 0.44
IDO1 P14902 1/20 0.43

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
SCHEMBL5024738 1.00 CTSS (0.49) CTSSCTSKCTSBCTSLPPARA
SCHEMBL58394 1.00 CTSS (0.49) CTSSCTSKCTSBCTSLPPARA
SCHEMBL9963924 0.91 CTSS (0.52) CTSSCTSKCTSBCTSLPPARA
SCHEMBL18405913 0.91 CTSS (0.52) CTSSCTSKCTSBCTSLPPARA
SCHEMBL22345951 0.89 CTSS (0.48) CTSSCTSKCTSBCTSLPPARA
SCHEMBL5578449 0.89 PPARA (0.56) CTSSCTSKCTSBCTSLPPARA
SCHEMBL6671005 0.88 CTSS (0.47) CTSSCTSKCTSBCTSLPPARA
SCHEMBL11330590 0.88 CTSS (0.49) CTSSCTSKCTSBCTSLPPARA
SCHEMBL58075 0.88 CTSS (0.47) CTSSCTSKCTSBCTSLPPARA
SCHEMBL11330591 0.88 CTSS (0.49) CTSSCTSKCTSBCTSLPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240217930-A1 SARS-COV-2 MPRO INHIBITOR COMPOUNDS HEPTARES THERAPEUTICS LIMITED (GB) 2024-07-04 US disclosed
US-20240217930-A1 SARS-COV-2 MPRO INHIBITOR COMPOUNDS HEPTARES THERAPEUTICS LIMITED (GB) 2024-07-04 US disclosed
US-20240217930-A1 SARS-COV-2 MPRO INHIBITOR COMPOUNDS HEPTARES THERAPEUTICS LIMITED (GB) 2024-07-04 US disclosed
US-12018093-B2 Hemiasterlin derivatives and antibody-drug conjugates including same Sumitomo Pharma Co., Ltd. (JP) 2024-06-25 US disclosed
US-12018093-B2 Hemiasterlin derivatives and antibody-drug conjugates including same Sumitomo Pharma Co., Ltd. (JP) 2024-06-25 US disclosed
US-12018093-B2 Hemiasterlin derivatives and antibody-drug conjugates including same Sumitomo Pharma Co., Ltd. (JP) 2024-06-25 US disclosed
CN-117858867-A SARS-COV-2 MPRO inhibitor compounds 赫普泰雅治疗有限公司 2024-04-09 CN disclosed
EP-3666787-B1 ANTIBODY-DRUG CONJUGATES INCLUDING HEMIASTERLIN DERIVATIVE SUMITOMO PHARMA CO LTD (JP) 2024-02-21 EP disclosed
EP-4321523-A2 HEMIASTERLIN DERIVATIVES AND ANTIBODY-DRUG CONJUGATES INCLUDING SAME Sumitomo Pharma Co., Ltd. (JP) 2024-02-14 EP disclosed
EP-4313305-A1 SARS-COV-2 MPRO INHIBITOR COMPOUNDS Heptares Therapeutics Limited (GB) 2024-02-07 EP disclosed
US-20080051434-A1 synthetic analog of Hemiasterlin; anticarcinogenic agent; restenosis of blood vessels subject to traumas such as angioplasty and stenting; safe and effective, while retaining stability in biological media; exhibit low cytotoxicity to non-dividing normal cells EISAI CO., LTD. (JP) 2008-02-28 US disclosed
US-20080051434-A1 synthetic analog of Hemiasterlin; anticarcinogenic agent; restenosis of blood vessels subject to traumas such as angioplasty and stenting; safe and effective, while retaining stability in biological media; exhibit low cytotoxicity to non-dividing normal cells EISAI CO., LTD. (JP) 2008-02-28 US disclosed
US-7192972-B2 Hemiasterlin derivatives and uses thereof EISAI CO., LTD. (JP) 2007-03-20 US disclosed
US-7192972-B2 Hemiasterlin derivatives and uses thereof EISAI CO., LTD. (JP) 2007-03-20 US disclosed
EP-1531846-A4 CONJUGATES OF LIGAND, LINKER AND CYTOTOXIC AGENT AND RELATED COMPOSITIONS AND METHODS OF USE US GOV HEALTH & HUMAN SERV (US) 2006-04-19 EP disclosed
US-20050171014-A1 Conjugates of ligand linker and cytotoxic agent and related composition and methods of use GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH (US) 2005-08-04 US disclosed
EP-1531846-A2 CONJUGATES OF LIGAND, LINKER AND CYTOTOXIC AGENT AND RELATED COMPOSITIONS AND METHODS OF USE THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2005-05-25 EP disclosed
US-20040121965-A1 Method of treating resistant tumors WYETH HOLDINGS CORPORATION (US) 2004-06-24 US disclosed
WO-2004026293-A2 HEMIASTERLIN DERIVATIVES FOR TREATING RESISTANT TUMORS WYETH HOLDINGS CORPORATION (US) 2004-04-01 WO disclosed
WO-2003072754-A2 CONJUGATES OF LIGAND, LINKER AND CYTOTOXIC AGENT AND RELATED COMPOSITIONS AND METHODS OF USE THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2003-09-04 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 (5 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-20240217930-A1 SARS-COV-2 MPRO INHIBITOR COMPOUNDS ACE2, SARS1, ACE CTSS 576/4885CTSK 1475/4885CTSB 145/4885
US-20040121965-A1 Method of treating resistant tumors SLC11A2, VHL, REN CTSS 1444/4885CTSK 964/4885CTSB 756/4885
US-20050171014-A1 Conjugates of ligand linker and cytotoxic agent and related composition and methods of use VCL, SELPLG, L3MBTL1 CTSS 2087/4885CTSK 1932/4885CTSB 1804/4885
US-20080051434-A1 synthetic analog of Hemiasterlin; anticarcinogenic agent; restenosis of blood vessels subject to traumas such as angioplasty and stenting; safe and effective, while retaining stability in biological media; exhibit low cytotoxicity to non-dividing normal cells DHCR7, CYP46A1, NR1H2 CTSS 416/4885CTSK 1269/4885CTSB 903/4885
US-12018093-B2 Hemiasterlin derivatives and antibody-drug conjugates including same FCGRT, QARS1, INHA CTSS 3364/4885CTSK 3432/4885CTSB 2715/4885

“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.