SCHEMBL25963168

SCHEMBL25963168

C=NNC(=O)CNC(=O)OC(C)C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.31
▸ TSHR P16473 2/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ HTT P42858 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CYP1A2 P05177 2/20 0.30
▸ CYP2C9 P11712 2/20 0.30
▸ CYP2C19 P33261 2/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ CTSK P43235 1/20 0.30

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
SCHEMBL5553307 0.72 LMNA (0.48) SMN1; SMN2TSHRALOX15HTTLMNA
SCHEMBL606445 0.72 — —
SCHEMBL16983231 0.71 SMN1; SMN2 (0.33) SMN1; SMN2TSHRALOX15HTTLMNA
SCHEMBL13130756 0.71 TSHR (0.37) SMN1; SMN2TSHRALOX15HTTLMNA
SCHEMBL7770988 0.71 TSHR (0.37) SMN1; SMN2TSHRALOX15HTTLMNA
SCHEMBL7770993 0.71 TSHR (0.37) SMN1; SMN2TSHRALOX15HTTLMNA
SCHEMBL1467804 0.70 — —
SCHEMBL18776567 0.69 TSHR (0.43) SMN1; SMN2TSHRALOX15HTTLMNA
SCHEMBL969919 0.68 — —
SCHEMBL606444 0.68 — —

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 SMN1; SMN2 4078/4885TSHR 1557/4885ALOX15 23/4885

“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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