SCHEMBL16124669

SCHEMBL16124669

CCCCCOC(=O)NC(CCC(=O)O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 4/20 0.51
FOLH1 Q04609 9/20 0.50
RIMKLA Q8IXN7 1/20 0.50
NAALAD2 Q9Y3Q0 1/20 0.50
PLA2G2C Q5R387 1/20 0.48
EPHX1 P07099 1/20 0.47
EPHX2 P34913 2/20 0.46
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45

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
SCHEMBL10036530 0.98 NOD1 (0.53) NOD1FOLH1RIMKLANAALAD2PLA2G2C
SCHEMBL16124659 0.98 NOD1 (0.53) NOD1FOLH1RIMKLANAALAD2PLA2G2C
SCHEMBL7447157 0.95 FOLH1 (0.51) NOD1FOLH1RIMKLANAALAD2ITGB3
SCHEMBL1387645 0.89 FOLH1 (0.55) NOD1FOLH1RIMKLANAALAD2
SCHEMBL1387945 0.89 FOLH1 (0.55) NOD1FOLH1RIMKLANAALAD2
SCHEMBL1387643 0.89 FOLH1 (0.55) NOD1FOLH1RIMKLANAALAD2
SCHEMBL8973585 0.88 NOD1 (0.55) NOD1EPHX1
SCHEMBL3625936 0.86 NOD1 (0.50) NOD1EPHX1ITGB3ITGA2B
SCHEMBL3629433 0.84 NOD1 (0.53) NOD1EPHX1
SCHEMBL3655323 0.84 ITGB3 (0.46) NOD1EPHX1ITGB3ITGA2B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140288142-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX SA (FR) 2014-09-25 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-20140288142-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 NOD1 1456/4885FOLH1 2389/4885RIMKLA 1751/4885

“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.