SCHEMBL22332236

SCHEMBL22332236

O=C(O)c1ccc(-c2c3nc(c(-c4ccc5c(-c6ccc(C(=O)O)cc6)c6ccccc6c(-c6ccc(C(=O)O)cc6)c5c4)c4ccc([nH]4)c(-c4ccc(C(=O)O)cc4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 4/20 0.60
▸ CYCS P99999 4/20 0.59
▸ STAT3 P40763 1/20 0.57
▸ STAT1 P42224 1/20 0.57
▸ ENPP2 Q13822 1/20 0.39
▸ ABCG2 Q9UNQ0 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MAP2K4 P45985 1/20 0.36
▸ GLA P06280 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPK8 P45983 1/20 0.34
▸ MAPK9 P45984 1/20 0.34
▸ MAPK10 P53779 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
SCHEMBL11339474 0.89 TOP1 (0.75) TOP1CYCSSTAT3STAT1ENPP2
SCHEMBL22332272 0.87 TOP1 (0.70) TOP1CYCSSTAT3STAT1ENPP2
SCHEMBL17894094 0.85 TOP1 (0.75) TOP1CYCSSTAT3STAT1ENPP2
SCHEMBL140681 0.85 TOP1 (0.67) TOP1CYCSSTAT3STAT1ENPP2
SCHEMBL11334086 0.84 TOP1 (0.65) TOP1CYCSSTAT3STAT1ENPP2
SCHEMBL28919688 0.84 TOP1 (0.65) TOP1CYCSSTAT3STAT1ENPP2
SCHEMBL24270402 0.80 STAT3 (0.82) TOP1CYCSSTAT3STAT1ENPP2
SCHEMBL1224432 0.80 STAT3 (0.86) TOP1CYCSSTAT3STAT1ENPP2
SCHEMBL31550992 0.80 STAT3 (0.86) TOP1CYCSSTAT3STAT1ENPP2
SCHEMBL30293296 0.80 STAT3 (0.86) TOP1CYCSSTAT3STAT1ENPP2

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
US-11826426-B2 Nanoscale metal-organic layers and metal-organic nanoplates for x-ray induced photodynamic therapy, radiotherapy, radiodynamic therapy, chemotherapy, immunotherapy, and any combination thereof THE UNIVERSITY OF CHICAGO (US) 2023-11-28 — — US disclosed
US-20230293698-A1 METAL-ORGANIC FRAMEWORKS DELIVER SMALL MOLECULES AND BIOMACROMOLECULES FOR CANCER IMMUNOTHERAPY UNIV CHICAGO (US) 2023-09-21 — — US disclosed
US-20200254095-A1 NANOSCALE METAL-ORGANIC LAYERS AND METAL-ORGANIC NANOPLATES FOR X-RAY INDUCED PHOTODYNAMIC THERAPY, RADIOTHERAPY, RADIODYNAMIC THERAPY, CHEMOTHERAPY, IMMUNOTHERAPY, AND ANY COMBINATION THEREOF THE UNIVERSITY OF CHICAGO 2020-08-13 — — 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 (3 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-20230293698-A1 METAL-ORGANIC FRAMEWORKS DELIVER SMALL MOLECULES AND BIOMACROMOLECULES FOR CANCER IMMUNOTHERAPY ORC3, RBM3, RNMT TOP1 266/4885CYCS 2330/4885STAT3 1293/4885
US-11826426-B2 Nanoscale metal-organic layers and metal-organic nanoplates for x-ray induced photodynamic therapy, radiotherapy, radiodynamic therapy, chemotherapy, immunotherapy, and any combination thereof CD274, PDCD1LG2, PDCD1 TOP1 166/4885CYCS 2415/4885STAT3 2688/4885
US-20200254095-A1 NANOSCALE METAL-ORGANIC LAYERS AND METAL-ORGANIC NANOPLATES FOR X-RAY INDUCED PHOTODYNAMIC THERAPY, RADIOTHERAPY, RADIODYNAMIC THERAPY, CHEMOTHERAPY, IMMUNOTHERAPY, AND ANY COMBINATION THEREOF CD274, PDCD1LG2, PDCD1 TOP1 166/4885CYCS 2415/4885STAT3 2688/4885

“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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