SCHEMBL5856774

SCHEMBL5856774

C=C(O[Si](C)(C)C)c1csc(C(=O)OC(C)(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
HPGDS O60760 1/20 0.33
GSK3B P49841 2/20 0.31
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL5857494 0.89 HPGDS (0.33) ALDH1A1HPGDSGSK3BCYP2C9CYP2C19
SCHEMBL16753610 0.77 DAO (0.47) ALDH1A1HPGDSGSK3B
SCHEMBL5857383 0.77 GSK3B (0.51) ALDH1A1HPGDSGSK3BNPSR1
SCHEMBL15057163 0.76 CA12 (0.39) ALDH1A1GSK3B
SCHEMBL5857434 0.76 CA12 (0.45) ALDH1A1CYP2C19
SCHEMBL18152995 0.74 GSK3B (0.44) ALDH1A1HPGDSGSK3BNPSR1
SCHEMBL15079197 0.72 GSK3B (0.42) ALDH1A1HPGDSGSK3B
SCHEMBL18152997 0.71 GSK3B (0.33) ALDH1A1HPGDSGSK3BCYP2C9
SCHEMBL5856640 0.71 MAPT (0.44) ALDH1A1HPGDSGSK3BNPSR1
SCHEMBL1753907 0.71 CES2 (0.53) ALDH1A1HPGDSGSK3BNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115595-B2 Carbapenem compounds DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2006-10-03 US disclosed
EP-1357123-B1 Novel carbapenem, medical and antibacterial comprisisng the same, and uses thereof SUMITOMO PHARMA (JP) 2005-11-30 EP disclosed
EP-1535924-A1 Novel carbapenem compounds SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2005-06-01 EP disclosed
US-20040063683-A1 Novel carbapenem compounds DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-04-01 US disclosed
EP-1357123-A1 NOVEL CARBAPENEM COMPOUNDS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2003-10-29 EP 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-20040063683-A1 Novel carbapenem compounds PTMS, PNISR, LRPPRC ALDH1A1 2608/4885HPGDS 456/4885GSK3B 391/4885

“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.