SCHEMBL20052434

SCHEMBL20052434

CC(C)(C)OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(C(=O)N1CCC[C@@H]1C(=O)O)C1CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 9/20 0.53
ADORA3 P0DMS8 1/20 0.52
ADORA2A P29274 1/20 0.52
ADORA2B P29275 1/20 0.52
ADORA1 P30542 1/20 0.52
ACE2 Q9BYF1 6/20 0.49
CMA1 P23946 2/20 0.46
REN P00797 1/20 0.46
CASP1 P29466 1/20 0.46
CASP3 P42574 1/20 0.46
CASP2 P42575 1/20 0.46
CASP4 P49662 1/20 0.46
CASP5 P51878 1/20 0.46
CASP7 P55210 1/20 0.46
CASP9 P55211 1/20 0.46
CASP8 Q14790 1/20 0.46
CASP10 Q92851 1/20 0.46
PREP P48147 2/20 0.45
MMP8 P22894 1/20 0.45
LTA4H P09960 2/20 0.44

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
SCHEMBL15459284 1.00 ACE (0.53) ACEADORA3ADORA2AADORA2BADORA1
SCHEMBL20356170 0.90 CASP1 (0.57) ACEADORA3ADORA2AADORA2BADORA1
SCHEMBL15459276 0.90 CASP1 (0.57) ACEADORA3ADORA2AADORA2BADORA1
SCHEMBL15459281 0.90 ACE (0.53) ACEADORA3ADORA2AADORA2BADORA1
SCHEMBL20349138 0.90 CASP1 (0.57) ACEADORA3ADORA2AADORA2BADORA1
SCHEMBL20349120 0.90 ADORA3 (0.50) ACEADORA3ADORA2AADORA2BADORA1
SCHEMBL20052372 0.90 ADORA3 (0.50) ACEADORA3ADORA2AADORA2BADORA1
SCHEMBL15459283 0.90 ADORA3 (0.50) ACEADORA3ADORA2AADORA2BADORA1
SCHEMBL19944453 0.86 ACE (0.59) ACEADORA3ADORA2AADORA2BADORA1
SCHEMBL15459257 0.86 CASP3 (0.66) ADORA3ADORA2AADORA2BADORA1CMA1

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-10975119-B2 Selective cysteine protease inhibitors and uses thereof GENESIS TECHNOLOGIES LIMITED (BB) 2021-04-13 US disclosed
US-20180186833-A1 SELECTIVE CYSTEINE PROTEASE INHIBITORS AND USES THEREOF GENESIS TECH LIMITED (BB) 2018-07-05 US disclosed
US-9944674-B2 Selective cysteine protease inhibitors and uses thereof GENESIS TECHNOLOGIES LIMITED (BB) 2018-04-17 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-20180186833-A1 SELECTIVE CYSTEINE PROTEASE INHIBITORS AND USES THEREOF SERPINB1, SERPINE1, CASP5 ACE 422/4885ADORA3 2220/4885ADORA2A 2021/4885
US-10975119-B2 Selective cysteine protease inhibitors and uses thereof SERPINB1, SERPINE1, CASP5 ACE 469/4885ADORA3 2328/4885ADORA2A 2030/4885

“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.