SCHEMBL24020458

SCHEMBL24020458

CC(C)(C)OC(=O)NC(C#N)C[C@@H]1CCNC1=O

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 0.51
▸ CTSK P43235 1/20 0.51
▸ CTSL P07711 1/20 0.51
▸ CTSB P07858 1/20 0.51

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
SCHEMBL24112532 1.00 CTSS (0.51) CTSSCTSKCTSLCTSB
SCHEMBL28839694 1.00 CTSS (0.51) CTSSCTSKCTSLCTSB
SCHEMBL26115001 0.94 CTSS (0.47) CTSSCTSKCTSLCTSB
SCHEMBL29531620 0.93 CTSS (0.46) CTSSCTSKCTSLCTSB
SCHEMBL24828157 0.91 CTSL (0.53) CTSSCTSKCTSLCTSB
SCHEMBL24425249 0.89 — —
SCHEMBL24582694 0.88 CTSS (0.44) CTSSCTSKCTSLCTSB
SCHEMBL24113127 0.88 CTSL (0.47) CTSSCTSKCTSLCTSB
SCHEMBL24189177 0.88 CTSS (0.41) CTSSCTSK
SCHEMBL29332822 0.88 CTSS (0.41) CTSSCTSK

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023180189-A1 MPRO TARGETING ANTIVIRAL COMPOUNDS EXSCIENTIA AI LIMITED (GB) 2023-09-28 — — WO disclosed
EP-4166539-A1 NITRILE-CONTAINING COMPOUNDS FOR USE AS MEDICAMENTS Pfizer Inc. (US) 2023-04-19 — — EP disclosed
US-11541034-B2 Nitrile-containing antiviral compounds PFIZER INC. (US) 2023-01-03 — — US disclosed
US-11452711-B2 Nitrile-containing antiviral compounds PFIZER INC. (US) 2022-09-27 — — US disclosed
CN-115043900-A Peptide-like compound and application thereof in preparation of 2019-nCoV main protease inhibitor 深圳博瑞医药科技有限公司 2022-09-13 — — CN disclosed
US-11351149-B2 Nitrile-containing antiviral compounds PFIZER INC. (US) 2022-06-07 — — US disclosed
US-20220142976-A1 Nitrile-Containing Antiviral Compounds PFIZER INC. (US) 2022-05-12 — — US disclosed
WO-2021250648-A1 NITRILE-CONTAINING ANTIVIRAL COMPOUNDS PFIZER INC. (US) 2021-12-16 — — WO disclosed
US-11174231-B1 Inhibitors of cysteine proteases and methods of use thereof Pardes Biosciences, Inc. (US) 2021-11-16 — — 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 (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-11452711-B2 Nitrile-containing antiviral compounds ACE2, NOS2, EIF2AK2 CTSS 1307/4885CTSK 1493/4885CTSL 635/4885
US-20220142976-A1 Nitrile-Containing Antiviral Compounds ACE2, NOS2, EIF2AK2 CTSS 1307/4885CTSK 1493/4885CTSL 635/4885
US-11174231-B1 Inhibitors of cysteine proteases and methods of use thereof CTRL, CTSV, CTSL CTSS 7/4885CTSK 43/4885CTSL 3/4885
US-11541034-B2 Nitrile-containing antiviral compounds ACE2, NOS2, EIF2AK2 CTSS 1307/4885CTSK 1493/4885CTSL 635/4885
US-11351149-B2 Nitrile-containing antiviral compounds ACE2, NOS2, EIF2AK2 CTSS 1307/4885CTSK 1493/4885CTSL 635/4885

“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.

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