SCHEMBL25874754

SCHEMBL25874754

CC(=O)NCCCC(=O)N[C@@H](CCC(=O)NCCCC(=O)N[C@@H](CCC(=O)NCCCC(=O)O)C(=O)O)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 4/20 0.62
▸ NOD1 Q9Y239 2/20 0.53
▸ EPHX2 P34913 1/20 0.52
▸ ADRA1A P35348 1/20 0.50
▸ GLP1R P43220 8/20 0.47
▸ ALB P02768 2/20 0.46
▸ GNPAT O15228 1/20 0.46

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
SCHEMBL25874948 1.00 FOLH1 (0.62) FOLH1NOD1EPHX2ADRA1AGLP1R
SCHEMBL21099650 0.89 NOD1 (0.57) FOLH1NOD1EPHX2GLP1R
SCHEMBL21099881 0.89 NOD1 (0.57) FOLH1NOD1EPHX2GLP1R
SCHEMBL22271682 0.88 GLP1R (0.58) FOLH1NOD1EPHX2ADRA1AGLP1R
SCHEMBL19786616 0.87 NOD1 (0.69) NOD1EPHX2GLP1R
SCHEMBL20215725 0.87 NOD1 (0.69) NOD1EPHX2GLP1R
SCHEMBL20215727 0.87 NOD1 (0.69) NOD1EPHX2GLP1R
SCHEMBL16273259 0.87 NOD1 (0.59) FOLH1NOD1EPHX2GLP1R
SCHEMBL20380824 0.87 FOLH1 (0.58) FOLH1NOD1EPHX2ADRA1AALB
SCHEMBL20146943 0.86 NOD1 (0.71) NOD1EPHX2GLP1R

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-11712434-B2 Compound having anti-cancer effect, and preparation method therefor and use thereof 3D MEDICINES (BEIJING) CO., LTD. (CN) 2023-08-01 — — 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-11712434-B2 Compound having anti-cancer effect, and preparation method therefor and use thereof HDGF, HGF, CYP4F11 FOLH1 705/4885NOD1 1989/4885EPHX2 4169/4885

“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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