SCHEMBL7103666

SCHEMBL7103666

CCCN(CCC)c1c(N[C@@H](Cc2ccc(Nc3ncnc4ccc(OC(F)(F)F)cc34)cc2)C(=O)O)c(=O)c1=O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 10/20 0.47
ITGA4 P13612 10/20 0.47
EGFR P00533 5/20 0.42
ERBB2 P04626 4/20 0.42
ABL1 P00519 2/20 0.42
BCR P11274 2/20 0.42
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 1/20 0.38
GRM1 Q13255 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
SCHEMBL7105959 0.95 ITGB1 (0.54) ITGB1ITGA4EGFRERBB2ABL1
SCHEMBL7105967 0.95 ITGB1 (0.54) ITGB1ITGA4EGFRERBB2ABL1
SCHEMBL7099918 0.93 ABL1 (0.40) ITGB1ITGA4EGFRERBB2ABL1
SCHEMBL7105543 0.86 ITGB1 (0.59) ITGB1ITGA4EGFRERBB2MAPT
SCHEMBL7101283 0.79 ITGB1 (0.57) ITGB1ITGA4
SCHEMBL7099956 0.79 ITGB1 (0.57) ITGB1ITGA4EGFRERBB2ABL1
SCHEMBL7105290 0.79 ITGB1 (0.58) ITGB1ITGA4EGFR
SCHEMBL7259766 0.77 EGFR (0.49) EGFRERBB2ABL1BCRKDM4E
SCHEMBL7259001 0.75 ITGB1 (0.52) ITGB1ITGA4
SCHEMBL7105057 0.75 ITGB1 (0.52) ITGB1ITGA4

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 28/4885EGFR 862/4885

“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.