SCHEMBL1776908

SCHEMBL1776908

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 2/20 1.00
HTT P42858 1/20 0.36
ALDH1A1 P00352 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PDE1C Q14123 1/20 0.33
PPARA Q07869 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
GAA P10253 1/20 0.32
ATM Q13315 1/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31
FOLH1 Q04609 2/20 0.31
AURKA O14965 1/20 0.30
CAPN1 P07384 1/20 0.30
CAPN2 P17655 1/20 0.30

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
SCHEMBL1776910 1.00 ITGAL (1.00) ITGALHTTALDH1A1CYP1A2CYP3A4
SCHEMBL4637583 1.00 ITGAL (1.00) ITGALHTTALDH1A1CYP1A2CYP3A4
SCHEMBL1776907 1.00 ITGAL (1.00) ITGALHTTALDH1A1CYP1A2CYP3A4
SCHEMBL1777812 0.98 ITGAL (0.95) ITGALHTTALDH1A1CYP1A2CYP3A4
SCHEMBL1777810 0.98 ITGAL (0.95) ITGALHTTALDH1A1CYP1A2CYP3A4
SCHEMBL1777813 0.98 ITGAL (0.95) ITGALHTTALDH1A1CYP1A2CYP3A4
SCHEMBL1778590 0.97 ITGAL (0.94) ITGALHTTALDH1A1CYP1A2CYP3A4
SCHEMBL1778586 0.97 ITGAL (0.94) ITGALHTTALDH1A1CYP1A2CYP3A4
SCHEMBL1778591 0.97 ITGAL (0.94) ITGALHTTALDH1A1CYP1A2CYP3A4
SCHEMBL1775828 0.95 ITGAL (1.00) ITGALPDE1CGAACTSLCTSB

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 12/4885HTT 3365/4885ALDH1A1 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.