SCHEMBL1000144

SCHEMBL1000144

CC(CCC(=O)O)NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CTSK P43235 11/20 0.45
CTSS P25774 7/20 0.45
CYP2D6 P10635 1/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
CTSL P07711 1/20 0.43
CTSB P07858 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
SCHEMBL6375701 1.00 CA1 (0.49) CA1CA2CA7CTSKCTSS
SCHEMBL23833052 1.00 CA1 (0.49) CA1CA2CA7CTSKCTSS
SCHEMBL18866617 0.90 CA1 (0.46) CA1CA2CA7CTSKCTSS
SCHEMBL9396774 0.90 CA1 (0.46) CA1CA2CA7CTSKCTSS
SCHEMBL28981403 0.87 CA1 (0.44) CA1CA2CA7CTSKCTSS
SCHEMBL26003343 0.86 CA1 (0.41) CA1CA2CA7CTSKCTSS
SCHEMBL18494114 0.86 CA1 (0.49) CA1CA2CA7CTSKCTSS
SCHEMBL25702483 0.85 CA1 (0.43) CA1CA2CA7CTSKCTSS
SCHEMBL23833107 0.84 CA1 (0.47) CA1CA2CA7CTSKCTSS
SCHEMBL21510806 0.84 CA2 (0.47) CA1CA2CA7CTSKCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12459922-B2 PARP7 inhibitors GILEAD SCIENCES, INC. (US) 2025-11-04 US disclosed
EP-4469448-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2024-12-04 EP disclosed
CN-118215676-A Specific conjugation of antibody drug conjugates 杭州多禧生物科技有限公司 2024-06-18 CN disclosed
US-11998610-B2 Conjugates and methods of using the same FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2024-06-04 US disclosed
CN-117551159-A Hedera helix sapogenin derivative and application thereof 烟台大学 2024-02-13 CN disclosed
CN-117534721-A Preparation method of hederagenin derivative 烟台大学 2024-02-09 CN disclosed
US-20240016942-A1 STAT DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2024-01-18 US disclosed
US-20230365529-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. 2023-11-16 US disclosed
CN-116724038-A Bicyclic compounds 安力高医药股份有限公司 2023-09-08 CN disclosed
WO-2023147418-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2023-08-03 WO disclosed
US-20050153876-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof MIGENIX INC. (CA) 2005-07-14 US disclosed
CN-1630517-A CXCR4-antagonistic drugs composed of nitrogen-containing compound KUREHA CHEMICAL IND CO LTD (JP) 2005-06-22 CN disclosed
WO-2005051915-A1 PYRIDIN-4-YLAMINE COMPOUNDS USEFUL IN THE TREATMENT OF NEUROPATHIC PAIN MERCK & CO., INC. (US) 2005-06-09 WO disclosed
WO-2005000878-A2 COMPOSITIONS OF LIPOPEPTIDE ANTIBIOTIC DERIVATIVES AND METHODS OF USE THEREOF MIGENIX INC. (CA) 2005-01-06 WO disclosed
US-20040157818-A1 Cxcr4-antagonistic drugs composed of nitrogen-containing compound KUREHA CORPORATION (JP) 2004-08-12 US disclosed
US-20040092556-A1 Nitrogenous compounds and antiviral drugs containing the same KUREHA CORPORATION (JP) 2004-05-13 US disclosed
EP-1389460-A1 CXCR4-ANTAGONISTIC DRUGS COMPRISING NITROGEN-CONTAINING COMPOUND Kureha Chemical Industry Co., Ltd. (JP) 2004-02-18 EP disclosed
CN-1423635-A Nitrogenous compounds and antiviral drugs containing the same KUREHA CHEMICAL IND CO LTD (JP) 2003-06-11 CN disclosed
EP-1273571-A1 NITROGENOUS COMPOUNDS AND ANTIVIRAL DRUGS CONTAINING THE SAME Kureha Chemical Industry Co., Ltd. (JP) 2003-01-08 EP disclosed
EP-0717040-A1 Thiazine or thiazepine derivatives which inhibit NOS Japan Tobacco Inc. (JP) 1996-06-19 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 (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-20040092556-A1 Nitrogenous compounds and antiviral drugs containing the same NSUN2, ZC3HAV1L, PNP CA1 3286/4885CA2 1756/4885CA7 2058/4885
US-11998610-B2 Conjugates and methods of using the same CD47, CD44, CD74 CA1 1233/4885CA2 3205/4885CA7 1216/4885
US-20050153876-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof NRDC, NOD2, NGLY1 CA1 4778/4885CA2 4677/4885CA7 3806/4885
US-20240016942-A1 STAT DEGRADERS AND USES THEREOF STAT4, STAT1, STAT3 CA1 2752/4885CA2 3372/4885CA7 761/4885
US-12459922-B2 PARP7 inhibitors PARP1, PARP11, PARP2 CA1 4498/4885CA2 3900/4885CA7 193/4885
US-20040157818-A1 Cxcr4-antagonistic drugs composed of nitrogen-containing compound CXCR4, CXCR1, CXCR2 CA1 2003/4885CA2 963/4885CA7 1960/4885
US-20230365529-A1 PARP7 INHIBITORS PARP1, PARP11, PARP2 CA1 4498/4885CA2 3900/4885CA7 193/4885

“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.