SCHEMBL24939498

SCHEMBL24939498

Cc1ccccc1NC(=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COc1c(F)c(F)cc(F)c1F

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 18/20 0.51
▸ CASP6 P55212 17/20 0.51
▸ CASP8 Q14790 17/20 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
SCHEMBL30277058 1.00 CASP3 (0.51) CASP3CASP6CASP8
SCHEMBL30277023 0.91 CASP3 (0.49) CASP3CASP6CASP8
SCHEMBL25855360 0.91 CASP3 (0.49) CASP3CASP6CASP8
SCHEMBL30277060 0.91 CASP3 (0.46) CASP3CASP6CASP8
SCHEMBL24939042 0.91 CASP3 (0.46) CASP3CASP6CASP8
SCHEMBL25307799 0.91 CASP3 (0.50) CASP3CASP6CASP8
SCHEMBL24939265 0.91 CASP3 (0.50) CASP3CASP6CASP8
SCHEMBL30277009 0.91 CASP3 (0.50) CASP3CASP6CASP8
SCHEMBL25307796 0.91 CASP3 (0.50) CASP3CASP6CASP8
SCHEMBL24939441 0.89 CASP3 (0.47) CASP3CASP6CASP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117794896-A Protease inhibitors for the treatment of coronavirus infections 斯克里普斯研究学院 2024-03-29 — — CN claimed
CN-117794896-A Protease inhibitors for the treatment of coronavirus infections 斯克里普斯研究学院 2024-03-29 — — CN disclosed
US-11708348-B2 Protease inhibitors for treatment of coronavirus infections THE SCRIPPS RESEARCH INSTITUTE (US) 2023-07-25 — — US disclosed
US-11708348-B2 Protease inhibitors for treatment of coronavirus infections THE SCRIPPS RESEARCH INSTITUTE (US) 2023-07-25 — — US disclosed
US-20230024012-A1 Protease Inhibitors for Treatment of Coronavirus Infections THE SCRIPPS RESEARCH INSTITUTE 2023-01-26 — — 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 (2 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-20230024012-A1 Protease Inhibitors for Treatment of Coronavirus Infections ACE, ACE2, TMPRSS2 CASP3 239/4885CASP6 378/4885CASP8 903/4885
US-11708348-B2 Protease inhibitors for treatment of coronavirus infections ACE, ACE2, TMPRSS2 CASP3 239/4885CASP6 378/4885CASP8 903/4885

“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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