SCHEMBL29907321

SCHEMBL29907321

Nc1nc2ncc(CNc3ccc(C(=O)N[C@@H](CO)C(=O)O)cc3)nc2c(=O)[nH]1

nearest known ligand 0.82

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 4/20 0.82
▸ TYMS P04818 3/20 0.82
▸ KDM4E B2RXH2 1/20 0.82
▸ MEN1 O00255 1/20 0.82
▸ ALDH1A1 P00352 1/20 0.82
▸ POLB P06746 1/20 0.82
▸ GAA P10253 1/20 0.82
▸ HPGD P15428 1/20 0.82
▸ TSHR P16473 1/20 0.82
▸ PTGS2 P35354 1/20 0.82
▸ KMT2A Q03164 1/20 0.82
▸ HSD17B10 Q99714 1/20 0.82
▸ TDP1 Q9NUW8 1/20 0.82
▸ ADORA3 P0DMS8 1/20 0.59
▸ DHFR P00374 5/20 0.58
▸ GART P22102 2/20 0.54
▸ ATIC P31939 2/20 0.54
▸ NOS1 P29475 1/20 0.47

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
Pyrophosphoric Acid SCHEMBL30002402 0.94 TYMS (0.74) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL30078340 0.93 TYMS (0.82) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL8768808 0.92 AKR1B1 (0.76) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL30174303 0.92 AKR1B1 (0.81) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL15094347 0.92 AKR1B1 (0.81) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL12523472 0.92 AKR1B1 (0.81) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL470145 0.92 AKR1B1 (0.81) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL10173120 0.92 AKR1B1 (0.81) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL30078194 0.92 TYMS (0.84) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL22803356 0.91 AKR1B1 (0.83) AKR1B1TYMSKDM4EMEN1ALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240285776-A1 SMALL MOLECULE-BASED BI-SPECIFIC IMMUNE CELL TETHERS AND THEIR USE IN THE TREATMENT OF ENVELOPED VIRUS INFECTION PURDUE RESEARCH FOUNDATION 2024-08-29 — — US claimed
EP-4337663-A2 SMALL MOLECULE-BASED BI-SPECIFIC IMMUNE CELL TETHERS AND THEIR USE IN THE TREATMENT OF ENVELOPED VIRUS INFECTION Purdue Research Foundation (US) 2024-03-20 — — EP claimed
WO-2022241262-A2 SMALL MOLECULE-BASED BI-SPECIFIC IMMUNE CELL TETHERS AND THEIR USE IN THE TREATMENT OF ENVELOPED VIRUS INFECTION PURDUE RESEARCH FOUNDATION (US) 2022-11-17 — — WO claimed
US-20240285776-A1 SMALL MOLECULE-BASED BI-SPECIFIC IMMUNE CELL TETHERS AND THEIR USE IN THE TREATMENT OF ENVELOPED VIRUS INFECTION PURDUE RESEARCH FOUNDATION 2024-08-29 — — US disclosed
EP-4337663-A2 SMALL MOLECULE-BASED BI-SPECIFIC IMMUNE CELL TETHERS AND THEIR USE IN THE TREATMENT OF ENVELOPED VIRUS INFECTION Purdue Research Foundation (US) 2024-03-20 — — EP disclosed
US-20230331767-A1 TARGETED STEROID COMPOUNDS PURDUE RESEARCH FOUNDATION 2023-10-19 — — US disclosed
WO-2022241262-A2 SMALL MOLECULE-BASED BI-SPECIFIC IMMUNE CELL TETHERS AND THEIR USE IN THE TREATMENT OF ENVELOPED VIRUS INFECTION PURDUE RESEARCH FOUNDATION (US) 2022-11-17 — — WO disclosed
CN-115003308-A Targeted steroid compounds 普渡研究基金会 2022-09-02 — — CN 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 (2 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-20230331767-A1 TARGETED STEROID COMPOUNDS CYP11B2, FOLR2, CYP11B1 AKR1B1 63/4885TYMS 307/4885KDM4E 4622/4885
US-20240285776-A1 SMALL MOLECULE-BASED BI-SPECIFIC IMMUNE CELL TETHERS AND THEIR USE IN THE TREATMENT OF ENVELOPED VIRUS INFECTION CD4, HAVCR2, EPCAM AKR1B1 3565/4885TYMS 2945/4885KDM4E 2396/4885

“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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