SCHEMBL4909784

SCHEMBL4909784

C=CCC1(C(=O)O)CC(=O)N1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.32
ITGB1 P05556 1/20 0.32
ITGAV P06756 1/20 0.32
ITGA4 P13612 1/20 0.32

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
SCHEMBL21645399 0.89 POLB (0.31) ITGB3ITGB1ITGAVITGA4
SCHEMBL21645418 0.89 POLB (0.31) ITGB3ITGB1ITGAVITGA4
SCHEMBL21645421 0.89 POLB (0.31) ITGB3ITGB1ITGAVITGA4
SCHEMBL21645749 0.84 POLB (0.32)
SCHEMBL21645639 0.84 POLB (0.32)
SCHEMBL21645578 0.84 POLB (0.32)
SCHEMBL21645562 0.83 POLB (0.34)
SCHEMBL21645416 0.83 POLB (0.34)
SCHEMBL21645563 0.83 POLB (0.34)
SCHEMBL21645378 0.77 S1PR1 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220204447-A1 CHIRAL-SUBSTITUTED POLY-N-VINYLPYRROLIDINONES AND COMPLEXES WITH BIMETALLIC NANOCLUSTERS AND USES THEREOF IN ASYMMETRIC OXIDATION REACTIONS NATIONAL SCIENCE FOUNDATION 2022-06-30 US disclosed
WO-2020163295-A1 CHIRAL-SUBSTITUTED POLY-N-VINYLPYRROLIDINONES AND COMPLEXES WITH BIMETALLIC NANOCLUSTERS AND USES THEREOF IN ASYMMETRIC OXIDATION REACTIONS KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) 2020-08-13 WO disclosed
US-7385051-B2 Fluorescent N2,N3-etheno-purine (2′-deoxy) riboside derivatives and uses thereof BAR-LLAN UNIVERSITY (IL) 2008-06-10 US disclosed
US-20060166248-A1 Fluorescent N2, N3-etheno-purine (2'deoxy) riboside derivatives and uses thereof BAR-ILAN UNIVERSITY (IL) 2006-07-27 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-20220204447-A1 CHIRAL-SUBSTITUTED POLY-N-VINYLPYRROLIDINONES AND COMPLEXES WITH BIMETALLIC NANOCLUSTERS AND USES THEREOF IN ASYMMETRIC OXIDATION REACTIONS DHPS, PCBP1, PNKP ITGB3 1169/4885ITGB1 1584/4885ITGAV 292/4885
US-20060166248-A1 Fluorescent N2, N3-etheno-purine (2'deoxy) riboside derivatives and uses thereof NUDT1, NT5C2, DUT ITGB3 2648/4885ITGB1 3966/4885ITGAV 3778/4885

“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.