SCHEMBL5856640

SCHEMBL5856640

CC(=O)c1cc(C(=O)OC(C)(C)C)cs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TP53 P04637 1/20 0.44
GSK3B P49841 2/20 0.44
SLC7A5 Q01650 1/20 0.38
CA2 P00918 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
HPGDS O60760 1/20 0.35
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL5857383 0.86 GSK3B (0.51) MAPTNPSR1TP53GSK3BSLC7A5
SCHEMBL1185438 0.82 GSK3B (0.44) MAPTNPSR1GSK3BSLC7A5CA2
SCHEMBL15057163 0.81 CA12 (0.39) MAPTTP53GSK3BCA2CA12
SCHEMBL15933864 0.80 MAPT (0.48) MAPTNPSR1TP53GSK3BCA2
SCHEMBL16753610 0.79 DAO (0.47) MAPTGSK3BSLC7A5CA2CA12
SCHEMBL16355747 0.79 DAO (0.55) NPSR1TP53CA2CA12CA1
SCHEMBL5857494 0.77 HPGDS (0.33) NPSR1GSK3BSLC7A5CA2CA12
SCHEMBL5856765 0.76 CA12 (0.49) MAPTNPSR1TP53GSK3BCA2
SCHEMBL18152995 0.76 GSK3B (0.44) MAPTNPSR1GSK3BSLC7A5CA2
SCHEMBL15079197 0.74 GSK3B (0.42) GSK3BSLC7A5CA2CA12CA1

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 7 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
CN-1247582-C Novel carbapenem compounds DAINIPPON SUMITOMO PHARMACEUTI (JP) 2006-03-29 CN 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
CN-1489589-A Novel carbapenem compounds ס����ҩ��ʽ���� 2004-04-14 CN 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 MAPT 4420/4885NPSR1 1090/4885TP53 4097/4885

“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.