SCHEMBL1778097

SCHEMBL1778097

CC[C@H](C)C(OCc1ccccc1)[C@H]1[C@H]([N+](=O)[O-])[C@H](c2ccccc2)N[C@@]1(C)C(=O)NCCC(=O)OC

nearest known ligand 0.88

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 2/20 0.88
GPR88 Q9GZN0 2/20 0.32
GAA P10253 1/20 0.32
AURKA O14965 1/20 0.32
PDE1C Q14123 1/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSS P25774 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
SCHEMBL4638214 1.00 ITGAL (0.88) ITGALGPR88GAAAURKAPDE1C
SCHEMBL1778093 1.00 ITGAL (0.88) ITGALGPR88GAAAURKAPDE1C
SCHEMBL1778096 1.00 ITGAL (0.88) ITGALGPR88GAAAURKAPDE1C
SCHEMBL4639078 0.94 ITGAL (0.83) ITGALPDE1CCTSL
SCHEMBL1777546 0.94 ITGAL (0.83) ITGALPDE1CCTSL
SCHEMBL1777544 0.94 ITGAL (0.83) ITGALPDE1CCTSL
SCHEMBL1777542 0.94 ITGAL (0.83) ITGALPDE1CCTSL
SCHEMBL1775828 0.94 ITGAL (1.00) ITGALGAAAURKAPDE1CCTSL
SCHEMBL1775830 0.94 ITGAL (1.00) ITGALGAAAURKAPDE1CCTSL
SCHEMBL1776908 0.91 ITGAL (1.00) ITGALGAAAURKAPDE1CCTSL

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-7943660-B2 2-(carboxyalkylaminocarbonyl)-pyrrolidines as antiinflammatory, immunosupressant, or antimetastasis agents DOMINION PHARMAKINE S.L. (ES) 2011-05-17 US disclosed
US-20080249157-A1 Novel Inhibitors of the Lfa-1/Icam-1 Interaction and Uses Thereof DOMINION PHARMAKINE S.L. (ES) 2008-10-09 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-20080249157-A1 Novel Inhibitors of the Lfa-1/Icam-1 Interaction and Uses Thereof ICAM1, VCAM1, SELL ITGAL 12/4885GPR88 1724/4885GAA 627/4885

“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.