SCHEMBL25964185

SCHEMBL25964185

CCC(C)(C)C1OC(CO)C(O)C(OC2OC(C(=O)O)C(OC(C)C)C(O)C2O)C1NC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ THRB P10828 1/20 0.44
▸ LGALS3 P17931 5/20 0.41
▸ LGALS8 O00214 1/20 0.41
▸ LGALS4 P56470 1/20 0.41
▸ MDK P21741 2/20 0.38
▸ PTN P21246 1/20 0.38
▸ BDNF P23560 1/20 0.38
▸ FGF1 P05230 1/20 0.37
▸ CD69 Q07108 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CHIA Q9BZP6 1/20 0.36
▸ LGALS1 P09382 1/20 0.35
▸ LGALS7; LGALS7B P47929 1/20 0.35
▸ NOD2 Q9HC29 1/20 0.35
▸ MAG P20916 1/20 0.35

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
SCHEMBL13246090 0.91 MAPK1 (0.47) MAPK1ALDH1A1THRBLGALS3LGALS8
SCHEMBL19928682 0.90 LGALS3 (0.42) MAPK1ALDH1A1THRBLGALS3LGALS8
SCHEMBL19221227 0.89 LGALS3 (0.42) MAPK1ALDH1A1THRBLGALS3LGALS8
SCHEMBL24036351 0.86 MAPK1 (0.44) MAPK1ALDH1A1THRBLGALS3LGALS8
SCHEMBL20235169 0.85 MAPK1 (0.49) MAPK1ALDH1A1THRBLGALS3LGALS8
SCHEMBL25963112 0.85 MAPK1 (0.47) MAPK1ALDH1A1THRBLGALS3LGALS8
SCHEMBL12580633 0.85 ALDH1A1 (0.52) MAPK1ALDH1A1THRBLGALS3LGALS8
SCHEMBL26473755 0.84 ALDH1A1 (0.47) MAPK1ALDH1A1THRBLGALS3LGALS8
SCHEMBL14089004 0.83 MAPK1 (0.57) MAPK1ALDH1A1THRBLGALS3LGALS8
SCHEMBL20841310 0.82 MAPK1 (0.48) MAPK1ALDH1A1THRBLGALS3LGALS8

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-20230256109-A1 Trans-Cyclooctene Bioorthogonal Agents and Uses in Cancer and Immunotherapy TAMBO, INC. 2023-08-17 — — 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-20230256109-A1 Trans-Cyclooctene Bioorthogonal Agents and Uses in Cancer and Immunotherapy ICOS, CD74, PBK MAPK1 3636/4885ALDH1A1 3456/4885THRB 1497/4885

“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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