SCHEMBL2955816

SCHEMBL2955816

CC(C)(C)OC(=O)[C@H](CN)NC(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.58
CTSK P43235 9/20 0.55
CTSS P25774 6/20 0.54
CTSL P07711 4/20 0.54
CTSB P07858 3/20 0.54
PPARA Q07869 1/20 0.52
ALDH1A1 P00352 1/20 0.50
ALOX15 P16050 1/20 0.50
KYNU Q16719 1/20 0.49
TACR1 P25103 2/20 0.49

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
SCHEMBL6704067 1.00 SYK (0.58) SYKCTSKCTSSCTSLCTSB
SCHEMBL275394 1.00 SYK (0.58) SYKCTSKCTSSCTSLCTSB
Hydrochloric Acid SCHEMBL7444521 0.99 SYK (0.57) SYKCTSKCTSSCTSLCTSB
Hydrochloric Acid SCHEMBL7444525 0.99 SYK (0.57) SYKCTSKCTSSCTSLCTSB
SCHEMBL8257062 0.90 PPARA (0.58) SYKCTSKCTSSCTSLCTSB
SCHEMBL20885273 0.90 PPARA (0.58) SYKCTSKCTSSCTSLCTSB
SCHEMBL11127997 0.88 SYK (0.66) SYKCTSKCTSSCTSLCTSB
SCHEMBL21340066 0.88 SYK (0.66) SYKCTSKCTSSCTSLCTSB
SCHEMBL19485480 0.88 CTSK (0.62) SYKCTSKCTSSCTSLCTSB
SCHEMBL6320951 0.88 SYK (0.59) SYKCTSKCTSSCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111171026-B Production intermediate for nitrogen-containing compound or salt thereof 富士胶片株式会社 2023-03-03 CN disclosed
CN-110167933-B As αVAzole amides and amines as integrin inhibitors 百时美施贵宝公司 2022-06-21 CN disclosed
EP-3538527-B1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-10-13 EP disclosed
US-20210198258-A1 INTEGRIN ANTAGONISTS Oxurion NV (BE) 2021-07-01 US disclosed
US-20210015802-A1 METHOD FOR MANUFACTURING NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF AND MANUFACTURING INTERMEDIATE OF NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF FUJIFILM CORPORATION (JP) 2021-01-21 US disclosed
US-10851098-B2 Azole amides and amines as alpha v integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-12-01 US disclosed
US-10703752-B2 Integrin antagonists Oxurion NV (BE) 2020-07-07 US disclosed
CN-111171026-A Production intermediate for nitrogen-containing compound or salt thereof 富士胶片株式会社 2020-05-19 CN disclosed
CN-107428755-B Process for producing nitrogen-containing compound or salt thereof, and intermediate for production thereof 富士胶片株式会社 2020-03-03 CN disclosed
US-20200055849-A1 INTEGRIN ANTAGONISTS Oxurion NV (BE) 2020-02-20 US disclosed
EP-0905139-A2 5 ring heterocyles, process for preparation, use as inhibitors of leukocyte adhesion and pharmaceutical preparations comprising them Hoechst Marion Roussel Deutschland GmbH (DE) 1999-03-31 EP disclosed
EP-0903353-A1 Imidazolidine derivates, their preparation and use, and pharmaceutical compositions containing them Hoechst Marion Roussel Deutschland GmbH (DE) 1999-03-24 EP disclosed
CN-1200374-A Vitronectin receptor antagonists, their preparation and use HOECHST AG (DE) 1998-12-02 CN disclosed
EP-0854140-A2 Vitronectin receptor antagonists, their production and their use HOECHST AKTIENGESELLSCHAFT (DE) 1998-07-22 EP disclosed
US-5760028-A TREATING CANCER METASTASIS, DIABETIC RETINOPATHY, NEOVASCULAR GLAUCOMA, THROMBOSIS, RESTENOSIS, OSTEOPOROSIS, MACULAR DEGENERATION THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-06-02 US disclosed
EP-0842943-A2 5-Ring heterocycles as inhibitors of leukocyte adhesion and as VLA-4 antagonists HOECHST AKTIENGESELLSCHAFT (DE) 1998-05-20 EP disclosed
EP-0842944-A2 Heterocycles as inhibitors of leukocyte adhesion and as antagonists of VLA-4 HOECHST AKTIENGESELLSCHAFT (DE) 1998-05-20 EP disclosed
EP-0820988-A2 Imino derivatives as bone resorption inhibitors and vitronectin receptor antagonists HOECHST AKTIENGESELLSCHAFT (DE) 1998-01-28 EP disclosed
EP-0820991-A2 Cycloalkyl derivatives as bone resorption inhibitors and vitronectin receptor antagonists HOECHST AKTIENGESELLSCHAFT (DE) 1998-01-28 EP disclosed
EP-0796855-A1 Inhibitors of bone resorption and vitronectin receptor antagonists HOECHST AKTIENGESELLSCHAFT (DE) 1997-09-24 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 (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-20210015802-A1 METHOD FOR MANUFACTURING NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF AND MANUFACTURING INTERMEDIATE OF NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF C5, C9, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 SYK 850/4885CTSK 4281/4885CTSS 4224/4885
US-20210198258-A1 INTEGRIN ANTAGONISTS ITGB1, ITGA2B, ITGA1 SYK 1468/4885CTSK 1824/4885CTSS 2321/4885
US-10851098-B2 Azole amides and amines as alpha v integrin inhibitors ITGAV, ITGB1, ITGA1 SYK 525/4885CTSK 2068/4885CTSS 2159/4885
US-10703752-B2 Integrin antagonists ITGB1, ITGA2B, ITGA1 SYK 1442/4885CTSK 2097/4885CTSS 2698/4885
US-20200055849-A1 INTEGRIN ANTAGONISTS ITGB1, ITGA2B, ITGA1 SYK 1442/4885CTSK 2097/4885CTSS 2698/4885

“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.