SCHEMBL23322444

SCHEMBL23322444

COC1C(C(=O)O)OC(OC2C(O)C(CO)OC(C(C)(C)C)C2NC(C)=O)C(O)C1O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 6/20 0.43
▸ LGALS8 O00214 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ LGALS4 P56470 1/20 0.43
▸ MDK P21741 3/20 0.42
▸ BDNF P23560 3/20 0.42
▸ PTN P21246 2/20 0.42
▸ CD69 Q07108 1/20 0.40
▸ LGALS1 P09382 1/20 0.40
▸ LGALS7; LGALS7B P47929 1/20 0.40
▸ LGALS9 O00182 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ F10 P00742 1/20 0.37

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
SCHEMBL18608226 1.00 LGALS3 (0.43) LGALS3LGALS8MAPK1LGALS4MDK
SCHEMBL18608138 1.00 LGALS3 (0.43) LGALS3LGALS8MAPK1LGALS4MDK
SCHEMBL19325099 0.91 LGALS3 (0.43) LGALS3LGALS8MAPK1LGALS4MDK
SCHEMBL18936352 0.91 LGALS3 (0.43) LGALS3LGALS8MAPK1LGALS4MDK
SCHEMBL22137175 0.91 LGALS3 (0.42) LGALS3LGALS8MAPK1LGALS4MDK
SCHEMBL20021737 0.90 LGALS3 (0.47) LGALS3LGALS8MAPK1LGALS4MDK
SCHEMBL19818421 0.90 BDNF (0.42) LGALS3LGALS8MAPK1LGALS4MDK
Dermatan SCHEMBL12691925 0.88 LGALS3 (0.49) LGALS3LGALS8MAPK1LGALS4MDK
Dermatan SCHEMBL13472480 0.88 LGALS3 (0.49) LGALS3LGALS8MAPK1LGALS4MDK
Dermatan SCHEMBL19846466 0.88 LGALS3 (0.49) LGALS3LGALS8MAPK1LGALS4MDK

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 5 patents. 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
US-20220259254-A1 TRANS-CYCLOOCTENE BIOORTHOGONAL AGENTS AND USES IN CANCER AND IMMUNOTHERAPY TAMBO, INC. 2022-08-18 — — US disclosed
US-20220168426-A1 BIOORTHOGONAL COMPOSITIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-06-02 — — US disclosed
US-11253600-B2 Bioorthogonal compositions TAMBO, INC. (US) 2022-02-22 — — US disclosed
US-20210128733-A1 BIOORTHOGONAL COMPOSITIONS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK 2021-05-06 — — 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 (5 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-20220259254-A1 TRANS-CYCLOOCTENE BIOORTHOGONAL AGENTS AND USES IN CANCER AND IMMUNOTHERAPY TIE1, CD74, MERTK LGALS3 350/4885LGALS8 93/4885MAPK1 3472/4885
US-20230256109-A1 Trans-Cyclooctene Bioorthogonal Agents and Uses in Cancer and Immunotherapy ICOS, CD74, PBK LGALS3 160/4885LGALS8 29/4885MAPK1 3636/4885
US-20210128733-A1 BIOORTHOGONAL COMPOSITIONS TIE1, BBOX1, ST14 LGALS3 466/4885LGALS8 171/4885MAPK1 3598/4885
US-20220168426-A1 BIOORTHOGONAL COMPOSITIONS TIE1, BBOX1, ST14 LGALS3 466/4885LGALS8 171/4885MAPK1 3598/4885
US-11253600-B2 Bioorthogonal compositions TIE1, BBOX1, ST14 LGALS3 466/4885LGALS8 171/4885MAPK1 3598/4885

“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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