SCHEMBL3784370

SCHEMBL3784370

CC(C)(C)OC(=O)N[C@@H](Cc1cn(COC(=O)C(C)(C)C)nn1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.42
CDC25B P30305 7/20 0.42
PTPN2 P17706 4/20 0.42
CDC25A P30304 3/20 0.42
ACE P12821 1/20 0.41
GNRHR P30968 1/20 0.41
PPARA Q07869 5/20 0.40
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
ITGA4 P13612 2/20 0.39
ITGB7 P26010 2/20 0.39
PPARG P37231 4/20 0.39
NPC1 O15118 1/20 0.38
PTPN6 P29350 1/20 0.37
PTPN11 Q06124 1/20 0.37
MDM2 Q00987 1/20 0.37
PPARD Q03181 1/20 0.36

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
SCHEMBL304588 0.81 ACE (0.56) PTPN1CDC25BPTPN2CDC25AACE
SCHEMBL3331695 0.81 ACE (0.56) PTPN1CDC25BPTPN2CDC25AACE
SCHEMBL26730167 0.79 NPC1 (0.43) NPC1
SCHEMBL21416498 0.79 ITGA4 (0.44) PTPN1ACEPPARAITGB3ITGA2B
SCHEMBL3789613 0.78 HDAC1 (0.49) PTPN1CDC25BPTPN2CDC25AACE
SCHEMBL3784417 0.78 PPARA (0.52) PTPN1CDC25BPTPN2CDC25AACE
SCHEMBL3738997 0.76 ALDH1A1 (0.39) PTPN1CDC25BPTPN2CDC25AGNRHR
SCHEMBL3732120 0.76 ALDH1A1 (0.39) PTPN1CDC25BPTPN2CDC25AGNRHR
SCHEMBL3732124 0.76 ALDH1A1 (0.39) PTPN1CDC25BPTPN2CDC25AGNRHR
SCHEMBL13735004 0.75 ITGA4 (0.43) PTPN1CDC25BPTPN2CDC25AACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348422-A1 ALBICIDIN DERIVATIVES, THEIR USE AND SYNTHESIS Technische Universität Berlin (DE) 2023-11-02 US disclosed
EP-2210882-A1 Synthesis of new protected azahistidine, their processes and their use in synthesises Commissariat à l'Énergie Atomique et aux Énergies Alternatives (FR) 2010-07-28 EP disclosed
WO-2010081882-A2 SYNTHESIS OF NEW PROTECTED AZAHISTIDINES, THEIR PROCESSES AND THEIR USE IN SYNTHESISES COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2010-07-22 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-20230348422-A1 ALBICIDIN DERIVATIVES, THEIR USE AND SYNTHESIS ALB, AAAS, INF2 PTPN1 4801/4885CDC25B 3283/4885PTPN2 4752/4885

“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.