SCHEMBL1777467

SCHEMBL1777467

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 2/20 0.63
GAA P10253 1/20 0.35
ALDH1A1 P00352 5/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP3A4 P08684 2/20 0.34
HSD17B10 Q99714 1/20 0.34
HTT P42858 1/20 0.34
TSHR P16473 3/20 0.33
PABPC1 P11940 1/20 0.33
CYP2C19 P33261 1/20 0.33
EIF4H Q15056 1/20 0.33
SIRT2 Q8IXJ6 3/20 0.33
SIRT1 Q96EB6 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SIRT3 Q9NTG7 1/20 0.33

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
SCHEMBL1777466 1.00 ITGAL (0.63) ITGALGAAALDH1A1CYP1A2CYP2D6
SCHEMBL4638326 1.00 ITGAL (0.63) ITGALGAAALDH1A1CYP1A2CYP2D6
SCHEMBL1777060 0.99 ITGAL (0.64) ITGALGAAALDH1A1CYP1A2CYP2D6
SCHEMBL4637570 0.99 ITGAL (0.64) ITGALGAAALDH1A1CYP1A2CYP2D6
SCHEMBL1777058 0.99 ITGAL (0.64) ITGALGAAALDH1A1CYP1A2CYP2D6
SCHEMBL1777096 0.97 ITGAL (0.67) ITGALGAAALDH1A1CYP1A2CYP2D6
SCHEMBL1777099 0.97 ITGAL (0.67) ITGALGAAALDH1A1CYP1A2CYP2D6
SCHEMBL4639099 0.97 ITGAL (0.67) ITGALGAAALDH1A1CYP1A2CYP2D6
SCHEMBL4639092 0.94 ITGAL (0.56) ITGALGAAALDH1A1CYP3A4SIRT2
SCHEMBL1777642 0.94 ITGAL (0.56) ITGALGAAALDH1A1CYP3A4SIRT2

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 627/4885ALDH1A1 72/4885

“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.