SCHEMBL58394

SCHEMBL58394

CC(C)(C)OC(=O)NC(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
SCHEMBL57550 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 35 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-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-11795195-B2 Antibody-drug conjugates including hemiasterlin derivative Sumitomo Pharma Co., Ltd. (JP) 2023-10-24 US disclosed
WO-2022208113-A1 SARS-COV-2 MPRO INHIBITOR COMPOUNDS HEPTARES THERAPEUTICS LIMITED (GB) 2022-10-06 WO disclosed
US-20220202948-A1 Agent for Eliminating Pluripotent Stem Cells SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-06-30 US disclosed
US-20220144889-A1 Hemiasterlin Derivative Having Cysteine Residue SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-05-12 US disclosed
US-RE44186-E1 Cyclopropyl-fused pyrrolidine-based inhibitors of dipeptidyl peptidase IV and method BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-30 US disclosed
US-20120322722-A1 Pyruvamide Compounds as Inhibitors of Dust Mite Group 1 Peptidase Allergen and Their Use THE UNIVERSITY OF MANCHESTER (GB) 2012-12-20 US disclosed
CN-102822192-A Pyruvamide compounds as inhibitors of dust mite group 1 peptidase allergen ST GEORGES HOSP MEDICAL SCHOOL 2012-12-12 CN disclosed
US-20120309938-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER EISAI CO., LTD. (JP) 2012-12-06 US disclosed
US-8129407-B2 Hemiasterlin derivatives and uses thereof in the treatment of cancer EISAI INC. (US) 2012-03-06 US disclosed
US-8129407-B2 Hemiasterlin derivatives and uses thereof in the treatment of cancer EISAI INC. (US) 2012-03-06 US disclosed
WO-2011089396-A2 PYRUVAMIDE COMPOUNDS AS INHIBITORS OF DUST MITE GROUP 1 PEPTIDASE ALLERGEN AND THEIR USE. ST GEORGE'S HOSPITAL MEDICAL SCHOOL (GB) 2011-07-28 WO disclosed
EP-2272825-A2 N-Protected amino hydroxy adamantane carboxylic acid and process for its preparation Bristol-Myers Squibb Company (US) 2011-01-12 EP 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

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-20220144889-A1 Hemiasterlin Derivative Having Cysteine Residue SHBG, CYP11A1, CYP11B1 CTSS 830/4885CTSK 1765/4885CTSB 1103/4885
US-20240217930-A1 SARS-COV-2 MPRO INHIBITOR COMPOUNDS ACE2, SARS1, ACE CTSS 576/4885CTSK 1475/4885CTSB 145/4885
US-20220202948-A1 Agent for Eliminating Pluripotent Stem Cells POU5F1, POU2F1, POU2F2 CTSS 3504/4885CTSK 2689/4885CTSB 1985/4885
US-20100063095-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER DHCR7, HSD17B7, HCCS CTSS 2074/4885CTSK 1987/4885CTSB 2305/4885
US-11795195-B2 Antibody-drug conjugates including hemiasterlin derivative HSD3B2, HSD3B1, HSD11B2 CTSS 2937/4885CTSK 2642/4885CTSB 2482/4885
US-20120309938-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER DHCR7, HSD17B7, HCCS CTSS 2074/4885CTSK 1987/4885CTSB 2305/4885
US-20120322722-A1 Pyruvamide Compounds as Inhibitors of Dust Mite Group 1 Peptidase Allergen and Their Use PREP, DPEP1, PEPD CTSS 440/4885CTSK 436/4885CTSB 682/4885
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.