SCHEMBL30133380

SCHEMBL30133380

CC(C)(C)OC(=O)N[C@@H](Cc1ccccn1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COc1c(F)c(F)cc(F)c1F

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 1/20 0.41
▸ CASP6 P55212 1/20 0.41
▸ CASP8 Q14790 1/20 0.41
▸ REN P00797 2/20 0.40
▸ SCN9A Q15858 1/20 0.40
▸ CTSL P07711 2/20 0.39
▸ CTSB P07858 1/20 0.38

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
SCHEMBL24939043 1.00 CASP3 (0.41) CASP3CASP6CASP8RENSCN9A
SCHEMBL24710326 0.88 CASP3 (0.43) CASP3CTSLCTSB
SCHEMBL29179611 0.88 CASP3 (0.43) CASP3CTSLCTSB
SCHEMBL24710475 0.88 CASP3 (0.43) CASP3CTSLCTSB
SCHEMBL25854997 0.87 CASP3 (0.46) CASP3CASP6CASP8CTSLCTSB
SCHEMBL24938998 0.86 CTSL (0.47) CTSLCTSB
SCHEMBL29179664 0.86 CTSL (0.47) CTSLCTSB
SCHEMBL29179666 0.86 CTSL (0.47) CTSLCTSB
Hydrochloric Acid SCHEMBL29179581 0.85 CASP3 (0.42) CASP3CASP6CASP8CTSLCTSB
Hydrochloric Acid SCHEMBL29179580 0.85 CASP3 (0.42) CASP3CASP6CASP8CTSLCTSB

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
US-20240150318-A1 PROTEASE INHIBITORS FOR TREATMENT OF CORONAVIRUS INFECTIONS THE SCRIPPS RESEARCH INSTITUTE 2024-05-09 — — US disclosed
EP-4352040-A1 PROTEASE INHIBITORS FOR THE TREATMENT OF CORONAVIRUS INFECTIONS The Scripps Research Institute (US) 2024-04-17 — — EP 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
WO-2022261473-A1 PROTEASE INHIBITORS FOR THE TREATMENT OF CORONAVIRUS INFECTIONS THE SCRIPPS RESEARCH INSTITUTE (US) 2022-12-15 — — WO 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 (3 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
US-20240150318-A1 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.

Send feedback