SCHEMBL20052372

SCHEMBL20052372

C=CCOC(=O)[C@H]1CCCN1C(=O)C(NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1)C1CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.50
ADORA2A P29274 1/20 0.50
ADORA2B P29275 1/20 0.50
ADORA1 P30542 1/20 0.50
CASP1 P29466 1/20 0.44
CASP3 P42574 1/20 0.44
CASP2 P42575 1/20 0.44
CASP4 P49662 1/20 0.44
CASP5 P51878 1/20 0.44
CASP7 P55210 1/20 0.44
CASP9 P55211 1/20 0.44
CASP8 Q14790 1/20 0.44
CASP10 Q92851 1/20 0.44
USP2 O75604 1/20 0.44
ACE P12821 2/20 0.43
MMP8 P22894 1/20 0.43
KLK5 Q9Y337 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL20349120 1.00 ADORA3 (0.50) ADORA3ADORA2AADORA2BADORA1CASP1
SCHEMBL15459283 1.00 ADORA3 (0.50) ADORA3ADORA2AADORA2BADORA1CASP1
SCHEMBL20349137 0.92 CASP3 (0.53) ADORA3ADORA2AADORA2BADORA1CASP1
SCHEMBL15459278 0.92 CASP3 (0.53) ADORA3ADORA2AADORA2BADORA1CASP1
SCHEMBL15459280 0.92 ADORA3 (0.49) ADORA3ADORA2AADORA2BADORA1CASP1
SCHEMBL20349118 0.92 ADORA3 (0.49) ADORA3ADORA2AADORA2BADORA1CASP1
SCHEMBL20356007 0.92 CASP3 (0.53) ADORA3ADORA2AADORA2BADORA1CASP1
SCHEMBL15459284 0.90 ACE (0.53) ADORA3ADORA2AADORA2BADORA1CASP1
SCHEMBL20052434 0.90 ACE (0.53) ADORA3ADORA2AADORA2BADORA1CASP1
SCHEMBL13471240 0.88 ADORA3 (0.48) ADORA3ADORA2AADORA2BADORA1USP2

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 ADORA3 2220/4885ADORA2A 2021/4885ADORA2B 1217/4885
US-10975119-B2 Selective cysteine protease inhibitors and uses thereof SERPINB1, SERPINE1, CASP5 ADORA3 2328/4885ADORA2A 2030/4885ADORA2B 1249/4885

“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.