SCHEMBL97580

SCHEMBL97580

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GLO1 Q04760 1/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ GSTK1 Q9Y2Q3 1/20 0.40
▸ FOLH1 Q04609 3/20 0.40
▸ RIMKLA Q8IXN7 1/20 0.40
▸ NAALAD2 Q9Y3Q0 1/20 0.40
▸ BMP1 P13497 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ CCKBR P32239 1/20 0.34

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
SCHEMBL173098 0.94 FOLH1 (0.40) GLO1PTGS1GSTK1FOLH1RIMKLA
SCHEMBL27571430 0.91 PTGS1 (0.51) GLO1PTGS1GSTK1FOLH1RIMKLA
SCHEMBL27571433 0.91 PTGS1 (0.51) GLO1PTGS1GSTK1FOLH1RIMKLA
SCHEMBL97583 0.86 FOLH1 (0.40) FOLH1RIMKLANAALAD2BMP1CCKBR
SCHEMBL32670710 0.79 PTGS1 (0.54) GLO1PTGS1GSTK1FOLH1RIMKLA
SCHEMBL9800724 0.79 FOLH1 (0.49) FOLH1RIMKLANAALAD2
SCHEMBL173084 0.79 ALDH1A1 (0.44) GLO1PTGS1GSTK1FOLH1RIMKLA
SCHEMBL9800723 0.79 FOLH1 (0.49) FOLH1RIMKLANAALAD2
SCHEMBL30590010 0.79 FPR1 (0.42) —
SCHEMBL26426461 0.79 KEAP1 (0.40) GLO1PTGS1GSTK1FOLH1ALDH1A1

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-20120058932-A1 ACTIVE INGREDIENT-PEPTIDE CONSTRUCT FOR EXTRACELLULAR CONCENTRATION MAX PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2012-03-08 — — US disclosed
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.

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