SCHEMBL26349664

SCHEMBL26349664

C[C@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)C(OCc2ccccc2)O[C@@H]1COC(=O)CCC(=O)N1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 1/20 0.39
▸ PTPN1 P18031 8/20 0.38
▸ CDC25B P30305 8/20 0.38
▸ PTPN2 P17706 4/20 0.37
▸ PTPN6 P29350 4/20 0.37
▸ PTPN11 Q06124 4/20 0.37
▸ NOTUM Q6P988 1/20 0.36
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ FGF1 P05230 1/20 0.34
▸ FGF2 P09038 1/20 0.34
▸ VEGFA P15692 1/20 0.34
▸ HPSE Q9Y251 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
SCHEMBL29410626 0.92 PTPN1 (0.43) TNFPTPN1CDC25BPTPN2PTPN6
SCHEMBL26349670 0.91 NPC1 (0.40) TNFPTPN1CDC25BPTPN2PTPN6
SCHEMBL26349638 0.81 SSTR3 (0.41) —
SCHEMBL26354489 0.80 SLC6A2 (0.38) TNFNOTUM
SCHEMBL29410617 0.79 PTPN1 (0.42) TNFPTPN1CDC25BPTPN2PTPN6
SCHEMBL30530241 0.76 SSTR3 (0.41) —
SCHEMBL990249 0.74 PTPN1 (0.48) TNFPTPN1CDC25BPTPN2PTPN6
SCHEMBL22750896 0.74 PTPN1 (0.48) TNFPTPN1CDC25BPTPN2PTPN6
SCHEMBL19479697 0.73 PTPN1 (0.48) TNFPTPN1CDC25BPTPN2PTPN6
SCHEMBL38652098 0.73 PTPN1 (0.49) TNFPTPN1CDC25BPTPN2PTPN6

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-20230303618-A1 TRIPTOLIDE CONJUGATES AND USES THEREOF REYOUNG CORPORATION (US) 2023-09-28 — — 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-20230303618-A1 TRIPTOLIDE CONJUGATES AND USES THEREOF TLR9, XIAP, ENPP2 TNF 131/4885PTPN1 736/4885CDC25B 3111/4885

“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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