SCHEMBL172853

SCHEMBL172853

CCNC(=O)CCC(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(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 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 1/20 0.49
PTGS1 P23219 1/20 0.46
GSTK1 Q9Y2Q3 1/20 0.46
BMP1 P13497 2/20 0.41
FOLH1 Q04609 3/20 0.40
RIMKLA Q8IXN7 1/20 0.40
NAALAD2 Q9Y3Q0 1/20 0.40
GNPAT O15228 1/20 0.39
NOD1 Q9Y239 1/20 0.38
GLP1R P43220 5/20 0.38
FAAH O00519 1/20 0.38

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
SCHEMBL173081 0.83 GLP1R (0.47) GLO1PTGS1GSTK1BMP1GLP1R
SCHEMBL21360278 0.83 FOLH1 (0.58) FOLH1RIMKLANAALAD2GNPATNOD1
SCHEMBL30148833 0.82 PTGS1 (0.59) GLO1PTGS1GSTK1BMP1FOLH1
SCHEMBL28927466 0.82 PTGS1 (0.59) GLO1PTGS1GSTK1BMP1FOLH1
SCHEMBL6809578 0.80 NOD1 (0.58) GLO1NOD1GLP1RFAAH
SCHEMBL27935271 0.80 NOD1 (0.58) GLO1NOD1GLP1RFAAH
SCHEMBL24235568 0.80 FOLH1 (0.58) GLO1PTGS1GSTK1FOLH1RIMKLA
SCHEMBL173084 0.79 ALDH1A1 (0.44) GLO1PTGS1GSTK1BMP1FOLH1
SCHEMBL2804509 0.77 PTGS1 (0.51) GLO1PTGS1GSTK1BMP1FOLH1
SCHEMBL29050824 0.77 PTGS1 (0.51) GLO1PTGS1GSTK1BMP1FOLH1

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 GLO1 2485/4885PTGS1 1350/4885GSTK1 4485/4885

“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.