SCHEMBL21875889

SCHEMBL21875889

COC(=O)C(Cc1cccnc1)NC(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 1/20 0.55
NLRP3 Q96P20 1/20 0.54
CYP3A4 P08684 8/20 0.52
SCN9A Q15858 1/20 0.51
CTSS P25774 3/20 0.50
CTSB P07858 3/20 0.50
CTSL P07711 2/20 0.50
CTSK P43235 2/20 0.50
ACE P12821 1/20 0.48
REN P00797 1/20 0.46

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
SCHEMBL12290542 1.00 KLK5 (0.55) KLK5NLRP3CYP3A4SCN9ACTSS
SCHEMBL30547271 1.00 KLK5 (0.55) KLK5NLRP3CYP3A4SCN9ACTSS
SCHEMBL2367394 1.00 KLK5 (0.55) KLK5NLRP3CYP3A4SCN9ACTSS
SCHEMBL29588090 0.94 CYP3A4 (0.52) KLK5NLRP3CYP3A4SCN9ACTSS
SCHEMBL8125933 0.94 CYP3A4 (0.52) KLK5NLRP3CYP3A4SCN9ACTSS
SCHEMBL3820580 0.92 KLK5 (0.48) KLK5NLRP3CYP3A4SCN9ACTSS
SCHEMBL2367071 0.91 KLK5 (0.48) KLK5NLRP3CYP3A4SCN9ACTSS
SCHEMBL27683505 0.91 KLK5 (0.48) KLK5NLRP3CYP3A4SCN9ACTSS
SCHEMBL13323781 0.91 KLK5 (0.48) KLK5NLRP3CYP3A4SCN9ACTSS
SCHEMBL479037 0.89 ACE (0.61) CYP3A4SCN9ACTSSCTSBCTSL

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
EP-3647315-B9 PHOSPHORUS-CONTAINING COMPOUND AND PREPARATION AND USE THEREOF VIVAVISION BIOTECH LTD (CN) 2025-06-04 EP disclosed
EP-3647315-B1 PHOSPHORUS-CONTAINING COMPOUND AND PREPARATION AND USE THEREOF VIVAVISION BIOTECH LTD (CN) 2024-11-20 EP disclosed
CN-116496255-A NLRP3 inhibitors 杭州邦顺制药有限公司 2023-07-28 CN disclosed
US-11325929-B2 Phosphorus-containing compound and preparation and use thereof VIVAVISIONSHANGHAILTD (CN) 2022-05-10 US disclosed
CN-109134533-B Phosphorus-containing compound and preparation and application thereof 维眸生物科技(上海)有限公司 2020-08-11 CN disclosed
EP-3647315-A1 PHOSPHORUS-CONTAINING COMPOUND AND PREPARATION AND USE THEREOF Vivavisionshanghailtd (CN) 2020-05-06 EP disclosed
US-20200131206-A1 PHOSPHORUS-CONTAINING COMPOUND AND PREPARATION AND USE THEREOF VIVAVISIONSHANGHAILTD (CN) 2020-04-30 US disclosed
CN-101466729-A Lysobactin amides AICURIS GMBH & CO KG (DE) 2009-06-24 CN disclosed
CN-101056887-A Acylated nonadepsipeptides used as lysobactin derivatives AICURIS GMBH & CO KG (DE) 2007-10-17 CN 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-11325929-B2 Phosphorus-containing compound and preparation and use thereof INPP5D, CXCL12, INPPL1 KLK5 2012/4885NLRP3 1068/4885CYP3A4 3146/4885
US-20200131206-A1 PHOSPHORUS-CONTAINING COMPOUND AND PREPARATION AND USE THEREOF INPP5D, CXCL12, INPPL1 KLK5 2012/4885NLRP3 1068/4885CYP3A4 3146/4885

“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.