SCHEMBL5059296

SCHEMBL5059296

O=C(NCCC[C@H](NC(=O)C1CCCN(C(=O)O)C1)C(=O)N(CCO)CCNC(=O)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.52
ITGA2B P08514 2/20 0.52
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
DPP8 Q6V1X1 3/20 0.42
DPP7 Q9UHL4 3/20 0.42
DPP4 P27487 2/20 0.42
DPP9 Q86TI2 2/20 0.42
GAA P10253 1/20 0.41
TGM2 P21980 2/20 0.41
FOLH1 Q04609 2/20 0.40
F13A1 P00488 1/20 0.40
TGM1 P22735 1/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
ACE P12821 2/20 0.39

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
SCHEMBL3957623 0.91 ITGB3 (0.59) ITGB3ITGA2BNPC1ALDH1A1CYP3A4
SCHEMBL3957619 0.82 ITGB3 (0.44) ITGB3ITGA2BDPP8DPP7DPP4
SCHEMBL3958711 0.79 ITGB3 (0.38) ITGB3ITGA2BFOLH1MEN1KMT2A
Hydrochloric Acid SCHEMBL5063568 0.78 ITGB3 (0.37) ITGB3ITGA2BFOLH1MEN1KMT2A
SCHEMBL10770977 0.74 FOLH1 (0.64) ITGB3ITGA2BFOLH1ACEMEN1
SCHEMBL7323375 0.73 FOLH1 (0.66) ITGB3ITGA2BFOLH1ACE
SCHEMBL1938810 0.72 HTT (0.54) ITGB3ITGA2BNPC1ALDH1A1CYP3A4
SCHEMBL1938809 0.72 HTT (0.54) ITGB3ITGA2BNPC1ALDH1A1CYP3A4
SCHEMBL10772400 0.71 FOLH1 (0.68) ITGB3FOLH1ACE
SCHEMBL3951637 0.71 MAPT (0.51) ITGB3ITGA2BFOLH1

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-20080300231-A1 Antibacterial amide macrocycles VI BAYER HEALTHCARE AG (DE) 2008-12-04 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-20080300231-A1 Antibacterial amide macrocycles VI AADAC, AAAS, NOD2 ITGB3 4166/4885ITGA2B 4302/4885NPC1 1089/4885

“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.