SCHEMBL7106924

SCHEMBL7106924

CC(C)(C)ON(C=O)[C@@H](Cc1ccc(N)cc1)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 2/20 0.34
ITGA5 P08648 2/20 0.34
LDHA P00338 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SOAT1 P35610 1/20 0.33
CA2 P00918 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGAV P06756 1/20 0.33
EPHX2 P34913 1/20 0.32
SLC7A5 Q01650 2/20 0.32
MME P08473 1/20 0.32
SCN1A P35498 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN3A Q9NY46 1/20 0.32
PTPN1 P18031 1/20 0.32
PPARA Q07869 1/20 0.32
SRR Q9GZT4 1/20 0.31
PSAT1 Q9Y617 1/20 0.31

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
SCHEMBL22804109 0.88 SLC7A5 (0.42) SLC7A5
SCHEMBL28233244 0.88 CYP1A2 (0.41) SLC7A5PPARASRR
SCHEMBL7299550 0.83 PPARA (0.40) CA2PPARA
SCHEMBL7424094 0.80 ITGB3 (0.41) ITGB3PPARA
SCHEMBL7299078 0.80 PPARD (0.39) ITGB1PPARA
SCHEMBL7292750 0.79 ITGB3 (0.42) RAB9AITGB3PPARA
SCHEMBL7106597 0.79 LMNA (0.41) ITGB1LDHANPC1RAB9AITGB3
SCHEMBL8182265 0.79 SRR (0.43) MMEPPARASRRPSAT1
SCHEMBL8310109 0.78 EPHX1 (0.39) MMEPPARA
SCHEMBL9308843 0.77 ITGB3 (0.58) ITGB1ITGB3ITGAVPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030162799-A1 Carbocyclic oxo, carboxy amines such as 3-(4-(3,5-Dichloro-4-pyridylcarboxamido)phenyl)-2-(2-propylamino-3,4 -dioxocyclobut-1-enyl)amino)propanoic acid, used as integrin antagonists; antiinflammatory agents CELLTECH R&D LIMITED (GB) 2003-08-28 US disclosed
US-6518283-B1 To modify integrin function in such a way as to beneficially modulate cell adhesion CELLTECH R&D LIMITED (GB) 2003-02-11 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 (1 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-20030162799-A1 Carbocyclic oxo, carboxy amines such as 3-(4-(3,5-Dichloro-4-pyridylcarboxamido)phenyl)-2-(2-propylamino-3,4 -dioxocyclobut-1-enyl)amino)propanoic acid, used as integrin antagonists; antiinflammatory agents ICAM1, VCAM1, CCR1 ITGB1 5/4885ITGA5 41/4885LDHA 2128/4885

“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.