SCHEMBL7130843

SCHEMBL7130843

CC(C)CC1=C(N[C@@H](Cc2ccccc2Nc2nccc3cnccc23)C(=O)O)CCC1=O

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.33
BAD Q92934 3/20 0.33
PIM2 Q9P1W9 3/20 0.33
NR3C2 P08235 1/20 0.33
TRPV1 Q8NER1 6/20 0.33
PDE4B Q07343 1/20 0.32
NTSR1 P30989 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
JAK3 P52333 1/20 0.31
KMT2A Q03164 1/20 0.30
EGFR P00533 1/20 0.30
PIP4K2A P48426 1/20 0.30

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
SCHEMBL5333186 0.92 PIM1 (0.34) PIM1BADPIM2TRPV1PDE4B
SCHEMBL7130851 0.85 NPR3 (0.36) NTSR1
SCHEMBL5260496 0.80 MME (0.35) PIP4K2A
SCHEMBL6537276 0.79 NPR3 (0.37)
SCHEMBL5333196 0.77 ITGB1 (0.36) TRPV1
SCHEMBL5262062 0.75 MME (0.33)
SCHEMBL5259091 0.73 MME (0.34) PIP4K2A
SCHEMBL5260488 0.72 ITGB1 (0.38)
SCHEMBL5263353 0.71 ITGB1 (0.36)
SCHEMBL5264342 0.71 ITGB1 (0.36)

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-6610700-B2 Inhibit binding of integrins to their ligands, use in immune or inflammatory disorders; 3-(4-((2,6-Naphthyridinyl)amino)-phenyl)-2-((2-(1-ethylpropyl)-3-oxo-1 -cyclopentenyl) amino)-propionic acid, for example CELLTECH R & D LIMITED (GB) 2003-08-26 US disclosed
US-20020037909-A1 Enamine derivatives UCB PHARMA S.A. (BE) 2002-03-28 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-20020037909-A1 Enamine derivatives CCR1, ITGB2, CCR10 PIM1 1402/4885BAD 534/4885PIM2 1662/4885

“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.