SCHEMBL20503301

SCHEMBL20503301

C=CCOC(=O)N[C@@H](CCC(=O)Nc1ccc(CO)cc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 12/20 0.42
▸ FOLH1 Q04609 3/20 0.42
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA4 P22748 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ TGM2 P21980 2/20 0.39
▸ ALDH1A1 P00352 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
SCHEMBL20503302 1.00 CASP1 (0.42) CASP1FOLH1CA12CA1CA2
SCHEMBL17285797 0.92 CASP1 (0.41) CASP1CA12CA1CA2CA4
SCHEMBL20503217 0.80 PPARA (0.50) FOLH1
SCHEMBL20503216 0.80 PPARA (0.50) FOLH1
SCHEMBL20504173 0.78 TGM2 (0.51) TGM2ALDH1A1
SCHEMBL2464156 0.78 MEN1 (0.49) —
SCHEMBL22283053 0.77 ALDH1A1 (0.50) CASP1ALDH1A1
SCHEMBL22283051 0.77 ALDH1A1 (0.50) CASP1ALDH1A1
SCHEMBL19017843 0.77 SIRT2 (0.46) TGM2ALDH1A1
SCHEMBL17661281 0.76 SIRT2 (0.50) TGM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3378495-B1 COMPOSITION COMPRISING NOVEL GLUTAMIC ACID DERIVATIVE AND BLOCK COPOLYMER, AND USE THEREOF NIPPON KAYAKU KK (JP) 2020-08-05 — — EP disclosed
US-20200190101-A1 Composition Containing Novel Glutamic Acid Derivative And Block Copolymer, And Use Thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2020-06-18 — — US disclosed
EP-3378495-A1 COMPOSITION COMPRISING NOVEL GLUTAMIC ACID DERIVATIVE AND BLOCK COPOLYMER, AND USE THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2018-09-26 — — EP 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-20200190101-A1 Composition Containing Novel Glutamic Acid Derivative And Block Copolymer, And Use Thereof GGCT, GGT1, TGM2 CASP1 4468/4885FOLH1 26/4885CA12 389/4885

“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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