SCHEMBL4576704

SCHEMBL4576704

COC(=O)[C@H](CC1CCCC1)NC(=O)OC(C)(C)C

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.63
CTSS P25774 2/20 0.63
AAK1 Q2M2I8 2/20 0.52
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
CACNA1B Q00975 6/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
REN P00797 1/20 0.41
KMT2A Q03164 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL4576713 1.00 CTSK (0.63) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL19385461 1.00 CTSK (0.63) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL23118362 0.99 CTSK (0.65) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL21427217 0.99 CTSK (0.65) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL21119399 0.99 CTSK (0.65) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL5063217 0.99 CTSK (0.65) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL1424546 0.99 CTSK (0.65) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL29414317 0.97 CTSK (0.60) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL4576559 0.95 CTSS (0.65) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL14151599 0.94 CTSS (0.63) CTSKCTSSAAK1HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240398757-A1 INHIBITORS FOR CORONAVIRUSES COCRYSTAL PHARMA, INC. 2024-12-05 US disclosed
EP-4380920-A1 INHIBITORS FOR CORONAVIRUSES Cocrystal Pharma, Inc. (US) 2024-06-12 EP disclosed
CN-118103351-A Coronavirus inhibitors 共晶制药公司 2024-05-28 CN disclosed
WO-2023014758-A1 INHIBITORS FOR CORONAVIRUSES COCRYSTAL PHARMA, INC. (US) 2023-02-09 WO disclosed
WO-2023014758-A1 INHIBITORS FOR CORONAVIRUSES COCRYSTAL PHARMA, INC. (US) 2023-02-09 WO disclosed
US-7718611-B2 Cyclic nonapeptide amides AICURIS GMBH & CO. KG (DE) 2010-05-18 US disclosed
US-7718611-B2 Cyclic nonapeptide amides AICURIS GMBH & CO. KG (DE) 2010-05-18 US disclosed
US-20080070884-A1 Antibiotics; novel class of cell wall biosynthesis inhibitors without cross-resistances to known classes of antibiotics; active analogs of lysobactin with a higher ring stability AICURIS GMBH & CO. KG (DE) 2008-03-20 US disclosed
US-20080070884-A1 Antibiotics; novel class of cell wall biosynthesis inhibitors without cross-resistances to known classes of antibiotics; active analogs of lysobactin with a higher ring stability AICURIS GMBH & CO. KG (DE) 2008-03-20 US disclosed
US-20080070884-A1 Antibiotics; novel class of cell wall biosynthesis inhibitors without cross-resistances to known classes of antibiotics; active analogs of lysobactin with a higher ring stability AICURIS GMBH & CO. KG (DE) 2008-03-20 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-20240398757-A1 INHIBITORS FOR CORONAVIRUSES ACE, ACE2, SARS1 CTSK 1167/4885CTSS 393/4885AAK1 3750/4885
US-20080070884-A1 Antibiotics; novel class of cell wall biosynthesis inhibitors without cross-resistances to known classes of antibiotics; active analogs of lysobactin with a higher ring stability AAAS, PGLS, NRDC CTSK 682/4885CTSS 339/4885AAK1 2008/4885

“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.