SCHEMBL1778554

SCHEMBL1778554

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 2/20 0.66
GAA P10253 1/20 0.37
CPB1 P15086 1/20 0.35
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
PSMB11 A5LHX3 1/20 0.31
PSMD11 O00231 1/20 0.31
PSMD12 O00232 1/20 0.31
PSMD14 O00487 1/20 0.31
PSMA7 O14818 1/20 0.31
PSMD3 O43242 1/20 0.31
PSMC3 P17980 1/20 0.31
PSMB1 P20618 1/20 0.31
PSMA1 P25786 1/20 0.31
PSMA2 P25787 1/20 0.31
PSMA3 P25788 1/20 0.31
PSMA4 P25789 1/20 0.31
PSMB8 P28062 1/20 0.31
PSMB9 P28065 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
SCHEMBL1778552 1.00 ITGAL (0.66) ITGALGAACPB1CTSLCTSB
SCHEMBL4638237 1.00 ITGAL (0.66) ITGALGAACPB1CTSLCTSB
SCHEMBL4639099 0.95 ITGAL (0.67) ITGALGAACTSLCTSBCTSS
SCHEMBL1777096 0.95 ITGAL (0.67) ITGALGAACTSLCTSBCTSS
SCHEMBL1777099 0.95 ITGAL (0.67) ITGALGAACTSLCTSBCTSS
SCHEMBL1777060 0.94 ITGAL (0.64) ITGALGAACTSLCTSBCTSS
SCHEMBL1777058 0.94 ITGAL (0.64) ITGALGAACTSLCTSBCTSS
SCHEMBL4637570 0.94 ITGAL (0.64) ITGALGAACTSLCTSBCTSS
SCHEMBL1777467 0.94 ITGAL (0.63) ITGALGAACTSLHTT
SCHEMBL4638326 0.94 ITGAL (0.63) ITGALGAACTSLHTT

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 12/4885GAA 627/4885CPB1 1745/4885

“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.