SCHEMBL4788504

SCHEMBL4788504

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(CCCc2ccc3cccnc3n2)s1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 2/20 0.46
ITGB3 P05106 2/20 0.46
ITGB1 P05556 1/20 0.46
ITGA5 P08648 1/20 0.46
ITGB6 P18564 1/20 0.41
SUCNR1 Q9BXA5 8/20 0.41
PTPN1 P18031 2/20 0.41
ITGA2B P08514 1/20 0.40
OXGR1 Q96P68 1/20 0.40
ACE P12821 1/20 0.39
CTSS P25774 3/20 0.39
CTSK P43235 3/20 0.39
PPARA Q07869 2/20 0.38
PPARG P37231 1/20 0.37
CTSB P07858 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL4928568 0.92 SUCNR1 (0.39) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL4927071 0.79 SUCNR1 (0.44) ITGB3SUCNR1PTPN1ITGA2BOXGR1
SCHEMBL4787966 0.78 ITGB1 (0.49) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL4248950 0.78 ITGAV (0.69) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL4207160 0.77 SUCNR1 (0.43) ITGB3ITGB1ITGA5SUCNR1PTPN1
SCHEMBL31085307 0.77 HDAC4 (0.43) ITGAVITGB6SUCNR1OXGR1CTSK
SCHEMBL21853216 0.77 HDAC4 (0.43) ITGAVITGB6SUCNR1OXGR1CTSK
SCHEMBL21853215 0.77 HDAC4 (0.43) ITGAVITGB6SUCNR1OXGR1CTSK
SCHEMBL4205174 0.77 SUCNR1 (0.42) ITGB1ITGA5SUCNR1OXGR1CTSS
SCHEMBL6424982 0.75 SUCNR1 (0.48) SUCNR1OXGR1

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
WO-2008125811-A1 N-[HETEROARYLCARBONYL]-S-THIENYL-L-ALANINE DERIVATIVES AS α5β1 ANTAGONISTS ASTRAZENECA AB (SE) 2008-10-23 WO disclosed
US-20080255183-A1 N-[HETEROARYLCARBONYL]-3-THIENYL-L-ALANINE DERIVATIVES AS a5beta1 ANTAGONISTS ASTRAZENECA AB (SE) 2008-10-16 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-20080255183-A1 N-[HETEROARYLCARBONYL]-3-THIENYL-L-ALANINE DERIVATIVES AS a5beta1 ANTAGONISTS ITGA2B, ITGB1, ITGB5 ITGAV 9/4885ITGB3 5/4885ITGB1 2/4885
US-20080045521-A1 PHENYLALANINE DERIVATIVES ITGB5, ITGB1, ITGA2B ITGAV 17/4885ITGB3 6/4885ITGB1 2/4885

“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.