SCHEMBL7104235

SCHEMBL7104235

CCN(CC)c1c(N[C@@H](Cc2ccc(Oc3ncnc4ccc(OC)cc34)cc2)C(=O)O)c(=O)c1=O

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 9/20 0.66
ITGA4 P13612 9/20 0.66
PDGFRB P09619 5/20 0.41
FLT4 P35916 5/20 0.41
CSF1R P07333 4/20 0.41
FLT3 P36888 3/20 0.41
KDR P35968 2/20 0.41
BRAF P15056 1/20 0.41
MAPK14 Q16539 1/20 0.41
TNNI3K Q59H18 1/20 0.41
MTNR1B P49286 2/20 0.39
MTNR1A P48039 1/20 0.39
PDGFRA P16234 1/20 0.39

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
SCHEMBL7101283 0.94 ITGB1 (0.57) ITGB1ITGA4PDGFRBFLT4CSF1R
SCHEMBL7104070 0.91 ITGB1 (0.62) ITGB1ITGA4PDGFRBFLT4CSF1R
SCHEMBL7105543 0.87 ITGB1 (0.59) ITGB1ITGA4CSF1RBRAF
SCHEMBL7105093 0.86 ITGB1 (0.65) ITGB1ITGA4PDGFRBFLT4CSF1R
SCHEMBL7716447 0.84 ITGB1 (0.63) ITGB1ITGA4
SCHEMBL7104202 0.80 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL7258999 0.78 ITGB1 (0.68) ITGB1ITGA4
SCHEMBL7105967 0.78 ITGB1 (0.54) ITGB1ITGA4
SCHEMBL7105959 0.78 ITGB1 (0.54) ITGB1ITGA4
SCHEMBL7263219 0.78 ITGB1 (0.42) ITGB1ITGA4PDGFRBFLT4CSF1R

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 5/4885ITGA4 28/4885PDGFRB 19/4885

“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.