SCHEMBL1777642

SCHEMBL1777642

CC[C@H](C)C(OCc1ccccc1)C1C(C(=O)NCCCCCC(=O)OC)NC(c2ccccc2)C1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 2/20 0.56
LMNA P02545 3/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TLR2 O60603 4/20 0.35
TLR1 Q15399 4/20 0.35
GAA P10253 1/20 0.35
SIRT2 Q8IXJ6 2/20 0.34
SIRT1 Q96EB6 2/20 0.34
SIRT3 Q9NTG7 1/20 0.34
EPHX2 P34913 1/20 0.33
CTSL P07711 1/20 0.33
HPGD P15428 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
SCHEMBL4639092 1.00 ITGAL (0.56) ITGALLMNAMEN1ALDH1A1KMT2A
SCHEMBL1777643 1.00 ITGAL (0.56) ITGALLMNAMEN1ALDH1A1KMT2A
SCHEMBL4638326 0.94 ITGAL (0.63) ITGALALDH1A1KDM4ECYP3A4MAPT
SCHEMBL1777467 0.94 ITGAL (0.63) ITGALALDH1A1KDM4ECYP3A4MAPT
SCHEMBL1777466 0.94 ITGAL (0.63) ITGALALDH1A1KDM4ECYP3A4MAPT
SCHEMBL1777058 0.94 ITGAL (0.64) ITGALLMNAALDH1A1KDM4ECYP3A4
SCHEMBL1777060 0.94 ITGAL (0.64) ITGALLMNAALDH1A1KDM4ECYP3A4
SCHEMBL4637570 0.94 ITGAL (0.64) ITGALLMNAALDH1A1KDM4ECYP3A4
SCHEMBL10063807 0.92 ITGAL (0.57) ITGALGAA
SCHEMBL4639099 0.91 ITGAL (0.67) ITGALALDH1A1CYP3A4GAACTSL

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.