SCHEMBL1778586

SCHEMBL1778586

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

nearest known ligand 0.94

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 2/20 0.94
ALDH1A1 P00352 5/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP3A4 P08684 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HTT P42858 1/20 0.33
TSHR P16473 2/20 0.32
PABPC1 P11940 1/20 0.32
CYP2C19 P33261 1/20 0.32
EIF4H Q15056 1/20 0.32
SIRT2 Q8IXJ6 3/20 0.32
SIRT1 Q96EB6 2/20 0.32
PDE1C Q14123 1/20 0.32
FOLH1 Q04609 3/20 0.32
TMEM97 Q5BJF2 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL1778590 1.00 ITGAL (0.94) ITGALALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL1778591 1.00 ITGAL (0.94) ITGALALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL1777812 0.99 ITGAL (0.95) ITGALALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL1777810 0.99 ITGAL (0.95) ITGALALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL1777813 0.99 ITGAL (0.95) ITGALALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL1776908 0.97 ITGAL (1.00) ITGALALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL1776910 0.97 ITGAL (1.00) ITGALALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL1776907 0.97 ITGAL (1.00) ITGALALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL4637583 0.97 ITGAL (1.00) ITGALALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL4639078 0.94 ITGAL (0.83) ITGALALDH1A1CYP3A4TSHRSIRT2

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-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
EP-1951665-A1 NOVEL INHIBITORS OF THE LFA-1/ICAM-1 INTERACTION, AND USES THEREOF Dominion Pharmakine S.L. (ES) 2008-08-06 EP disclosed
WO-2007054128-A1 NOVEL INHIBITORS OF THE LFA-1/ICAM-1 INTERACTION, AND USES THEREOF DOMINION PHARMAKINE S.L. (ES) 2007-05-18 WO 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 12/4885ALDH1A1 72/4885CYP1A2 2141/4885

“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.