SCHEMBL5174175

SCHEMBL5174175

CC(=O)c1ccc(C(C(=O)O)C(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
PDK1 Q15118 1/20 0.51
TSHR P16473 2/20 0.47
CASP6 P55212 1/20 0.47
PDE7A Q13946 1/20 0.47
MAPK1 P28482 1/20 0.46
POLB P06746 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 1/20 0.45
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
HCAR3 P49019 4/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 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
SCHEMBL5174181 1.00 MAPT (0.52) MAPTPDK1TSHRCASP6PDE7A
SCHEMBL7043142 0.87 CASP6 (0.64) PDK1TSHRCASP6HCAR3LMNA
SCHEMBL7043138 0.87 CASP6 (0.64) PDK1TSHRCASP6HCAR3LMNA
SCHEMBL25492001 0.84 PDK1 (0.70) MAPTPDK1TSHRCASP6PDE7A
SCHEMBL7681987 0.82 MAPK1 (0.62) MAPTPDK1CASP6MAPK1POLB
SCHEMBL7681995 0.82 MAPK1 (0.62) MAPTPDK1CASP6MAPK1POLB
SCHEMBL4819821 0.81 KMT2A (0.50) MAPTPDK1TSHRPDE7APOLB
SCHEMBL27838069 0.81 TSHR (0.55) PDK1TSHRALDH1A1
SCHEMBL3582033 0.81 SRD5A2 (0.55) MAPTPDK1CASP6MAPK1POLB
SCHEMBL3582037 0.81 SRD5A2 (0.55) MAPTPDK1CASP6MAPK1POLB

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-20070265242-A1 Novel Carbapenem Compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-11-15 US disclosed
EP-1785426-A1 NOVEL CARBAPENEM COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2007-05-16 EP disclosed
EP-1612211-A1 NOVEL CARBAPENEM COMPOUNDS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2006-01-04 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-20070265242-A1 Novel Carbapenem Compound C1R, C3AR1, OXA1L MAPT 4855/4885PDK1 523/4885TSHR 3080/4885

“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.