SCHEMBL1777542

SCHEMBL1777542

CC[C@H](C)C(OCc1ccccc1)C1C([N+](=O)[O-])C(c2ccccc2)NC1(C)C(=O)NCCCCCC(=O)OC

nearest known ligand 0.83

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 2/20 0.83
LMNA P02545 3/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EPHX2 P34913 1/20 0.33
TLR2 O60603 4/20 0.32
TLR1 Q15399 4/20 0.32
SIRT2 Q8IXJ6 2/20 0.32
SIRT1 Q96EB6 2/20 0.32
SIRT3 Q9NTG7 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
CTSL P07711 1/20 0.31
PDE1C Q14123 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
SCHEMBL4639078 1.00 ITGAL (0.83) ITGALLMNAMEN1ALDH1A1CYP3A4
SCHEMBL1777544 1.00 ITGAL (0.83) ITGALLMNAMEN1ALDH1A1CYP3A4
SCHEMBL1777546 1.00 ITGAL (0.83) ITGALLMNAMEN1ALDH1A1CYP3A4
SCHEMBL1778591 0.94 ITGAL (0.94) ITGALALDH1A1CYP3A4KDM4EMAPT
SCHEMBL1778590 0.94 ITGAL (0.94) ITGALALDH1A1CYP3A4KDM4EMAPT
SCHEMBL1778586 0.94 ITGAL (0.94) ITGALALDH1A1CYP3A4KDM4EMAPT
SCHEMBL4638214 0.94 ITGAL (0.88) ITGALCTSLPDE1C
SCHEMBL1778096 0.94 ITGAL (0.88) ITGALCTSLPDE1C
SCHEMBL1778093 0.94 ITGAL (0.88) ITGALCTSLPDE1C
SCHEMBL1778097 0.94 ITGAL (0.88) ITGALCTSLPDE1C

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 12/4885LMNA 3054/4885MEN1 4025/4885

“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.