SCHEMBL5856765

SCHEMBL5856765

CCOC(=O)c1csc(C(C)=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.49
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA7 P43166 3/20 0.49
CA9 Q16790 3/20 0.49
CA14 Q9ULX7 3/20 0.49
MAPT P10636 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
GSK3B P49841 2/20 0.47
TP53 P04637 1/20 0.44
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAOA P21397 1/20 0.43
MAPK1 P28482 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43

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
SCHEMBL6030268 0.89 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL5721887 0.86 DAO (0.52) CA12CA1CA2CA7CA9
SCHEMBL6198736 0.82 CA12 (0.45) CA12CA1CA2CA7CA9
SCHEMBL15933864 0.80 MAPT (0.48) CA12CA1CA2CA7CA9
SCHEMBL31464162 0.80 DAO (0.57) CA12CA1CA2CA7CA9
SCHEMBL9494321 0.79 DAO (0.56) CA12CA1CA2CA7CA9
SCHEMBL3659417 0.79 DAO (0.65) CA12CA1CA2CA7CA9
SCHEMBL8628954 0.77 DAO (0.53) CA12CA1CA2CA7CA9
SCHEMBL938203 0.77 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL5737532 0.77 CA12 (0.50) CA12CA1CA2CA7CA9

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 CA12 4291/4885CA1 4780/4885CA2 3656/4885

“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.