SCHEMBL173084

SCHEMBL173084

CC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
PTGS2 P35354 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP1A2 P05177 1/20 0.44
GLO1 Q04760 1/20 0.44
NAALAD2 Q9Y3Q0 2/20 0.43
BMP1 P13497 2/20 0.42
FOLH1 Q04609 3/20 0.41
RIMKLA Q8IXN7 1/20 0.41
PTGS1 P23219 1/20 0.40
GSTK1 Q9Y2Q3 1/20 0.40
ECE1 P42892 1/20 0.40
DPP4 P27487 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
MME P08473 1/20 0.39
ACE P12821 1/20 0.39
CPA1 P15085 1/20 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
SCHEMBL3358161 0.84 GLO1 (0.50) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL15381923 0.83 CYP1A2 (0.47) CYP1A2NAALAD2BMP1FOLH1RIMKLA
SCHEMBL19441766 0.83 BMP1 (0.59) CYP1A2NAALAD2BMP1FOLH1RIMKLA
SCHEMBL5685928 0.82 GLO1 (0.46) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL29714782 0.81 GLO1 (0.48) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL32670710 0.81 PTGS1 (0.54) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL23875611 0.80 NAALAD2 (0.40) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL7575574 0.80 GLO1 (0.44) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL16213761 0.80 CYP1A2 (0.50) CYP1A2NAALAD2BMP1FOLH1RIMKLA
SCHEMBL19441772 0.79 BMP1 (0.55) CYP1A2NAALAD2BMP1FOLH1

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-20120058932-A1 ACTIVE INGREDIENT-PEPTIDE CONSTRUCT FOR EXTRACELLULAR CONCENTRATION MAX PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2012-03-08 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-20120058932-A1 ACTIVE INGREDIENT-PEPTIDE CONSTRUCT FOR EXTRACELLULAR CONCENTRATION VIP, FIBP, MMP7 ALDH1A1 4072/4885LMNA 2844/4885MAPT 3116/4885

“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.