SCHEMBL58075

SCHEMBL58075

COC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.47
CTSK P43235 7/20 0.47
KLK5 Q9Y337 2/20 0.46
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
ATM Q13315 1/20 0.44
MAPT P10636 1/20 0.42
PPARA Q07869 2/20 0.41
PPARG P37231 1/20 0.41
SYK P43405 1/20 0.41
ACE P12821 1/20 0.41

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
SCHEMBL89265 1.00 CTSS (0.47) CTSSCTSKKLK5CTSLCTSB
SCHEMBL22345951 0.93 CTSS (0.48) CTSSCTSKKLK5CTSLCTSB
SCHEMBL58394 0.88 CTSS (0.49) CTSSCTSKCTSLCTSBATM
SCHEMBL57550 0.88 CTSS (0.49) CTSSCTSKCTSLCTSBATM
SCHEMBL5024738 0.88 CTSS (0.49) CTSSCTSKCTSLCTSBATM
SCHEMBL27685809 0.86 KLK5 (0.44) CTSSCTSKKLK5CTSLCTSB
SCHEMBL27666835 0.86 KLK5 (0.44) CTSSCTSKKLK5CTSLCTSB
SCHEMBL6671005 0.85 CTSS (0.47) CTSSCTSKCTSLCTSBATM
SCHEMBL9334048 0.82 KLK5 (0.42) CTSSCTSKKLK5CTSLCTSB
SCHEMBL13681904 0.82 KMT2A (0.42) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-11795195-B2 Antibody-drug conjugates including hemiasterlin derivative Sumitomo Pharma Co., Ltd. (JP) 2023-10-24 US disclosed
US-11795195-B2 Antibody-drug conjugates including hemiasterlin derivative Sumitomo Pharma Co., Ltd. (JP) 2023-10-24 US disclosed
US-11795195-B2 Antibody-drug conjugates including hemiasterlin derivative Sumitomo Pharma Co., Ltd. (JP) 2023-10-24 US disclosed
US-20220202948-A1 Agent for Eliminating Pluripotent Stem Cells SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-06-30 US disclosed
US-20220202948-A1 Agent for Eliminating Pluripotent Stem Cells SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-06-30 US disclosed
US-8129407-B2 Hemiasterlin derivatives and uses thereof in the treatment of cancer EISAI INC. (US) 2012-03-06 US disclosed
US-20100063095-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER EISAI CO., LTD. (JP) 2010-03-11 US disclosed
US-20100063095-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER EISAI CO., LTD. (JP) 2010-03-11 US disclosed
US-20090264487-A1 HEMIASTERLIN ANALOGS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2009-10-22 US disclosed
US-7585976-B2 Hemiasterlin derivatives and uses thereof EISAI CO., LTD. (JP) 2009-09-08 US disclosed
US-7579323-B1 Analogs of hemiasterlin wherein the indole moiety of hemiasterlin has been deleted or replaced demonstrate potent anti-mitotic and cytotoxic activity; may be useful in treatment of colon, breast, lung cancers THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2009-08-25 US disclosed
US-7528152-B2 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) 2009-05-05 US disclosed
US-20080108820-A1 Hemiasterlin Derivatives and Uses Thereof EISAI CO., LTD. (JP) 2008-05-08 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20220202948-A1 Agent for Eliminating Pluripotent Stem Cells POU5F1, POU2F1, POU2F2 CTSS 3504/4885CTSK 2689/4885KLK5 904/4885
US-20100063095-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER DHCR7, HSD17B7, HCCS CTSS 2074/4885CTSK 1987/4885KLK5 781/4885
US-20090264487-A1 HEMIASTERLIN ANALOGS NUMA1, CYP11A1, PDS5A CTSS 2276/4885CTSK 2584/4885KLK5 1731/4885
US-11795195-B2 Antibody-drug conjugates including hemiasterlin derivative HSD3B2, HSD3B1, HSD11B2 CTSS 2937/4885CTSK 2642/4885KLK5 90/4885
US-20080108820-A1 Hemiasterlin Derivatives and Uses Thereof DHCR7, HSD17B7, HCCS CTSS 2468/4885CTSK 2644/4885KLK5 985/4885
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 1269/4885KLK5 1326/4885
US-12018093-B2 Hemiasterlin derivatives and antibody-drug conjugates including same FCGRT, QARS1, INHA CTSS 3364/4885CTSK 3432/4885KLK5 1806/4885

“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.