SCHEMBL29321824

SCHEMBL29321824

CCCCCCCCCCCCCCCC(=O)NCCCCC(NC(=O)C(CCC(=O)O)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CCC(=O)O)NC(=O)COCCOCCNC(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(=O)NC(CCC(=O)O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCC(=O)O)C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALB P02768 1/20 0.52
▸ CCKAR P32238 16/20 0.48
▸ CCKBR P32239 15/20 0.48
▸ YWHAZ P63104 2/20 0.46
▸ IL23R Q5VWK5 1/20 0.45

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
SCHEMBL16408401 0.75 GLP1R (0.40) ALBCCKARCCKBRYWHAZ
SCHEMBL23599906 0.74 FTO (0.51) ALB
SCHEMBL917141 0.74 ALB (0.58) ALB
SCHEMBL13794742 0.73 CCKAR (0.51) CCKARCCKBR
SCHEMBL24691602 0.73 CCKAR (0.55) CCKARCCKBRIL23R
SCHEMBL25138002 0.73 FTO (0.52) ALB
SCHEMBL14144739 0.72 ALB (0.51) ALB
SCHEMBL12964684 0.72 ALB (0.44) ALB
SCHEMBL14769921 0.71 ALB (0.65) ALB
SCHEMBL24723090 0.71 FTO (0.51) ALB

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-20240238458-A1 COMPOUNDS TARGETING FIBROBLAST-ACTIVATION PROTEIN AND METHODS OF USE THEREOF PURDUE RESEARCH FOUNDATION 2024-07-18 — — 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-20240238458-A1 COMPOUNDS TARGETING FIBROBLAST-ACTIVATION PROTEIN AND METHODS OF USE THEREOF FAP, FIBP, FGFR1 ALB 174/4885CCKAR 3871/4885CCKBR 3934/4885

“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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