SCHEMBL4205174

SCHEMBL4205174

COC(=O)[C@H](Cc1ccc(CCCc2ccc3cccnc3n2)cn1)NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SUCNR1 Q9BXA5 11/20 0.42
ITGB1 P05556 1/20 0.41
ITGA5 P08648 1/20 0.41
OXGR1 Q96P68 2/20 0.39
KLK5 Q9Y337 1/20 0.39
HDAC6 Q9UBN7 4/20 0.38
HDAC1 Q13547 2/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38

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
SCHEMBL4207160 0.94 SUCNR1 (0.43) SUCNR1ITGB1ITGA5OXGR1KLK5
SCHEMBL4927071 0.92 SUCNR1 (0.44) SUCNR1OXGR1KLK5CTSBCTSS
SCHEMBL4928568 0.84 SUCNR1 (0.39) SUCNR1ITGB1ITGA5OXGR1KLK5
SCHEMBL4067093 0.84 KLK5 (0.42) ITGB1ITGA5KLK5HDAC6HDAC1
SCHEMBL21311526 0.84 SUCNR1 (0.38) SUCNR1OXGR1KLK5CTSBCTSS
SCHEMBL21853216 0.84 HDAC4 (0.43) SUCNR1OXGR1HDAC6HDAC1CTSK
SCHEMBL21853215 0.84 HDAC4 (0.43) SUCNR1OXGR1HDAC6HDAC1CTSK
SCHEMBL31085307 0.84 HDAC4 (0.43) SUCNR1OXGR1HDAC6HDAC1CTSK
SCHEMBL4069200 0.81 ITGB1 (0.43) ITGB1ITGA5KLK5HDAC6HDAC1
SCHEMBL8227097 0.81 ITGB1 (0.43) ITGB1ITGA5KLK5HDAC6HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062267-A1 L-ALANINE DERIVATIVES AS a5beta1 ANTAGONISTS ASTRAZENECA AB (SE) 2009-03-05 US disclosed
US-20090062267-A1 L-ALANINE DERIVATIVES AS a5beta1 ANTAGONISTS ASTRAZENECA AB (SE) 2009-03-05 US disclosed
US-20090062267-A1 L-ALANINE DERIVATIVES AS a5beta1 ANTAGONISTS ASTRAZENECA AB (SE) 2009-03-05 US disclosed
WO-2008093065-A1 L-ALANINE DERIVATIVES AS α5βL ANTAGONISTS ASTRAZENECA AB (SE) 2008-08-07 WO disclosed
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 US disclosed
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 US disclosed
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 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-20080045521-A1 PHENYLALANINE DERIVATIVES ITGB5, ITGB1, ITGA2B SUCNR1 868/4885ITGB1 2/4885ITGA5 7/4885
US-20090062267-A1 L-ALANINE DERIVATIVES AS a5beta1 ANTAGONISTS ITGA2B, ITGB1, ITGAL SUCNR1 1223/4885ITGB1 2/4885ITGA5 11/4885

“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.