SCHEMBL30078340

SCHEMBL30078340

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

nearest known ligand 0.82

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 3/20 0.82
▸ AKR1B1 P15121 2/20 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
▸ DHFR P00374 8/20 0.60
▸ ADORA3 P0DMS8 1/20 0.59
▸ GART P22102 2/20 0.54
▸ ATIC P31939 1/20 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
SCHEMBL23876293 0.94 TYMS (0.84) TYMSAKR1B1KDM4EMEN1ALDH1A1
SCHEMBL13167571 0.93 TYMS (0.83) TYMSAKR1B1KDM4EMEN1ALDH1A1
SCHEMBL17084006 0.93 TYMS (0.83) TYMSAKR1B1KDM4EMEN1ALDH1A1
SCHEMBL12744202 0.93 TYMS (0.83) TYMSAKR1B1KDM4EMEN1ALDH1A1
SCHEMBL13455912 0.93 TYMS (0.83) TYMSAKR1B1KDM4EMEN1ALDH1A1
SCHEMBL29907321 0.93 AKR1B1 (0.82) TYMSAKR1B1KDM4EMEN1ALDH1A1
SCHEMBL1451489 0.92 TYMS (0.86) TYMSAKR1B1KDM4EMEN1ALDH1A1
SCHEMBL10173120 0.92 AKR1B1 (0.81) TYMSAKR1B1KDM4EMEN1ALDH1A1
SCHEMBL470145 0.92 AKR1B1 (0.81) TYMSAKR1B1KDM4EMEN1ALDH1A1
SCHEMBL30078194 0.92 TYMS (0.84) TYMSAKR1B1KDM4EMEN1ALDH1A1

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 6 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
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

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-20240285776-A1 SMALL MOLECULE-BASED BI-SPECIFIC IMMUNE CELL TETHERS AND THEIR USE IN THE TREATMENT OF ENVELOPED VIRUS INFECTION CD4, HAVCR2, EPCAM TYMS 2945/4885AKR1B1 3565/4885KDM4E 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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