SCHEMBL30237697

SCHEMBL30237697

CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(C#N)c1cncc(Br)c1)C2(C)C

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSV O60911 1/20 0.55
CYP3A4 P08684 1/20 0.55
CTSS P25774 1/20 0.55
CTSK P43235 1/20 0.55

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
SCHEMBL30966553 0.92 CTSV (0.55) CTSVCYP3A4CTSSCTSK
SCHEMBL27216346 0.91 CTSV (0.44) CTSVCYP3A4CTSSCTSK
SCHEMBL27216351 0.91 CTSV (0.44) CTSVCYP3A4CTSSCTSK
SCHEMBL27216337 0.91 CTSV (0.55) CTSVCYP3A4CTSSCTSK
SCHEMBL30935101 0.91 CTSV (0.55) CTSVCYP3A4CTSSCTSK
SCHEMBL27216376 0.91 CTSV (0.57) CTSVCYP3A4CTSSCTSK
SCHEMBL30966533 0.91 CTSV (0.55) CTSVCYP3A4CTSSCTSK
SCHEMBL30236943 0.91 CTSV (0.57) CTSVCYP3A4CTSSCTSK
SCHEMBL27216342 0.91 CTSV (0.55) CTSVCYP3A4CTSSCTSK
SCHEMBL27216377 0.91 CTSV (0.57) CTSVCYP3A4CTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240336610-A1 3CL PROTEASE SMALL-MOLECULE INHIBITOR FOR TREATING OR PREVENTING CORONAVIRUS INFECTION, AND USE THEREOF THE GLOBAL HEALTH DRUG DISCOVERY INSTITUTE (CN) 2024-10-10 US disclosed
EP-4368610-A1 3CL PROTEASE SMALL-MOLECULE INHIBITOR FOR TREATING OR PREVENTING CORONAVIRUS INFECTION, AND USE THEREOF The Global Health Drug Discovery Institute (CN) 2024-05-15 EP disclosed
WO-2023011443-A1 3CL PROTEASE SMALL-MOLECULE INHIBITOR FOR TREATING OR PREVENTING CORONAVIRUS INFECTION, AND USE THEREOF 北京华益健康药物研究中心 2023-02-09 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 (1 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-20240336610-A1 3CL PROTEASE SMALL-MOLECULE INHIBITOR FOR TREATING OR PREVENTING CORONAVIRUS INFECTION, AND USE THEREOF ACE, ACE2, SPINT2 CTSV 67/4885CYP3A4 90/4885CTSS 72/4885

“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.