SCHEMBL6772054

SCHEMBL6772054

CS(=O)(=O)OCCNC(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.48
DPP9 Q86TI2 1/20 0.48
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 2/20 0.46
CYP19A1 P11511 1/20 0.46
HTR2A P28223 1/20 0.46
GAA P10253 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TGM2 P21980 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MGLL Q99685 1/20 0.43
HTT P42858 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
SCHEMBL6770668 0.86 ALDH1A1 (0.43) DPP8DPP9ALDH1A1MAPTCYP19A1
SCHEMBL10500161 0.84 DPP8 (0.58) DPP8DPP9ALDH1A1LMNASMN1; SMN2
SCHEMBL16375296 0.82 KMT2A (0.48) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL3524616 0.82 LMNA (0.68) ALDH1A1LMNASMN1; SMN2MAPTMEN1
SCHEMBL6397529 0.82 DPP8 (0.54) DPP8DPP9ALDH1A1LMNASMN1; SMN2
SCHEMBL11168359 0.81 MAPT (0.50) DPP8DPP9ALDH1A1LMNASMN1; SMN2
SCHEMBL11161416 0.80 DPP8 (0.55) DPP8DPP9ALDH1A1LMNASMN1; SMN2
SCHEMBL6894271 0.80 DPP8 (0.50) DPP8DPP9ALDH1A1MAPTGAA
SCHEMBL7721825 0.80 DPP8 (0.50) DPP8DPP9ALDH1A1MAPTGAA
SCHEMBL7721827 0.80 DPP8 (0.55) DPP8DPP9ALDH1A1MAPTGAA

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-6825187-B2 CARBAPENEM DERIVATIVES SUBSTITUTED AT THE 2-POSITION WITH A SUBSTITUTED IMIDAZO(5,1-B)THIAZOLE GROUP; USE AGAINST ANTIBIOTIC RESISTANT STAPHYLOCOCCUS AUREUS AND PSEUDOMONAS AERUGINOSA, ENTEROCOCCI AND INFLUENZA VIRUS MEIJI SEIKA KAISHA, LTD. (JP) 2004-11-30 US disclosed
US-20030022881-A1 Novel carbapenem derivatives of quarternary salt type MEIJI SEIKA KAISHA, LTD. (JP) 2003-01-30 US disclosed
EP-1251134-A1 NOVEL CARBAPENEM DERIVATIVES OF QUATERNARY SALT TYPE MEIJI SEIKA KAISHA LTD. (JP) 2002-10-23 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-20030022881-A1 Novel carbapenem derivatives of quarternary salt type DHPS, HDHD5, RRP15 DPP8 173/4885DPP9 312/4885ALDH1A1 518/4885

“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.