SCHEMBL4584109

SCHEMBL4584109

C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CCc1cccc2oc(-c3ccc(Cl)cc3)nc12)OS(C)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADA P00813 2/20 0.46
HTR3A P46098 1/20 0.33
UTRN P46939 1/20 0.33
MAOA P21397 1/20 0.32
ADRA1A P35348 1/20 0.32
PTPN2 P17706 2/20 0.32
PTPN1 P18031 2/20 0.32
PTPN5 P54829 2/20 0.32
HSPD1 P10809 1/20 0.32
HSPE1 P61604 1/20 0.32
CASP3 P42574 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
BCHE P06276 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
SCHEMBL4583221 0.86 ADA (0.46) ADAHTR3AMAOAADRA1APTPN2
SCHEMBL4584885 0.84 ADA (0.51) ADAHTR3AUTRNMAOAADRA1A
SCHEMBL4585448 0.75 ADA (0.78) ADAHTR3AMAOAADRA1ACASP3
SCHEMBL6831619 0.73 ADA (0.42) ADAHTR3AUTRNMAOAADRA1A
SCHEMBL6172617 0.73 CYP24A1 (0.44) KDM4EALDH1A1
SCHEMBL6830817 0.71 ADA (0.41) ADAHTR3AUTRNMAOAADRA1A
SCHEMBL6831266 0.71 ADA (0.42) ADAHTR3AUTRNMAOAADRA1A
SCHEMBL4583166 0.69 ADA (0.51) ADAHTR3AMAOAADRA1AMAPT
SCHEMBL4584332 0.69 ADA (0.37) ADAHTR3AUTRNMAOAADRA1A
SCHEMBL4584335 0.69 ADA (0.37) ADAHTR3AUTRNMAOAADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7317107-B2 Imidazole 4-carboxamide compounds with adenosine deaminase inhibiting activity ASTELLAS PHARMA INC. (JP) 2008-01-08 US disclosed
US-20050159462-A1 Imidazole 4-carboxamide compounds with adenosine deaminase inhibiting activity ASTELLAS PHARMA INC. (JP) 2005-07-21 US disclosed
EP-1474421-A1 IMIDAZOLE 4-CARBOXAMIDE COMPOUNDS WITH ADENOSINE DEAMINASE INHIBITING ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-10 EP disclosed
WO-2003068768-A1 IMIDAZOLE 4-CARBOXAMIDE COMPOUNDS WITH ADENOSINE DEAMINASE INHIBITING ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-08-21 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-20050159462-A1 Imidazole 4-carboxamide compounds with adenosine deaminase inhibiting activity ADA, AMPD2, AMPD1 ADA 1/4885HTR3A 747/4885UTRN 4015/4885

“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.