SCHEMBL5095110

SCHEMBL5095110

CC(=O)S[C@H]1C[C@@H](C(=O)O)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
MAOB P27338 1/20 0.38
HTT P42858 2/20 0.38
HTR2A P28223 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL8541738 1.00 ATM (0.43) ATMTDP1ALDH1A1MAPTHPGD
SCHEMBL9381292 1.00 ATM (0.43) ATMTDP1ALDH1A1MAPTHPGD
SCHEMBL9041010 1.00 ATM (0.43) ATMTDP1ALDH1A1MAPTHPGD
SCHEMBL9728021 1.00 ATM (0.43) ATMTDP1ALDH1A1MAPTHPGD
SCHEMBL5108204 1.00 ATM (0.43) ATMTDP1ALDH1A1MAPTHPGD
SCHEMBL9204236 0.91 RAB9A (0.40) ATMTDP1ALDH1A1MAPTHPGD
SCHEMBL9728199 0.91 RAB9A (0.40) ATMTDP1ALDH1A1MAPTHPGD
SCHEMBL9202630 0.91 RAB9A (0.40) ATMTDP1ALDH1A1MAPTHPGD
SCHEMBL9207938 0.91 RAB9A (0.40) ATMTDP1ALDH1A1MAPTHPGD
SCHEMBL9728231 0.89 MAPT (0.42) ATMTDP1ALDH1A1MAPTHPGD

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7342005-B2 Antibiotic compounds ASTRAZENECA UK LIMITED (GB) 2008-03-11 US disclosed
US-7041836-B2 Antibiotic compounds ASTRAZENECA UK LIMITED (GB) 2006-05-09 US disclosed
US-20050209212-A1 Antibiotic compounds ASTRAZENECA UK LIMITED 2005-09-22 US disclosed
US-20030144264-A1 Antibiotic compounds ZENECA LIMITED 2003-07-31 US disclosed
US-6521612-B2 Antibiotic against grampositive, gramnegative bacteria ZENECA LTD. (GB) 2003-02-18 US disclosed
US-6436921-B1 HAVE LOW MINIMUM INHIBITORY CONCENTRATIONS FOR GRAMPOSITIVE AND GRAMNEGATIVE STRAINS, ARE STABLE AGAINST DEGRADATION BY RENAL DEHYDROPEPTIDASE-I AND HAVE EXCELLENT BIOAVAILABILITY KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2002-08-20 US disclosed
US-20020042408-A1 Antibiotic compounds ZENECA LIMITED 2002-04-11 US disclosed
US-6187804-B1 Antibiotic compounds ZENECA LIMITED (GB) 2001-02-13 US disclosed
EP-1019387-A1 DIHYDROBENZOFURAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 2000-07-19 EP disclosed
EP-0590885-B1 Antibiotic carbapenem compounds ZENECA LTD (GB) 2000-03-15 EP disclosed
EP-0579826-A1 CARBAPENEMS CONTAINING A CARBOXY SUBSTITUTED PHENYL GROUP, PROCESSES FOR THEIR PREPARATION, INTERMEDIATES AND USE AS ANTIBIOTICS ZENECA LIMITED (GB) 1994-01-26 EP disclosed
WO-1993019070-A1 CARBAPENEM DERIVATIVES AS ANTIBIOTICS AND INTERMEDIATES THEREOF ZENECA LIMITED (GB) 1993-09-30 WO disclosed
EP-0562855-A1 Carbapenem compounds as antibiotics ZENECA LIMITED (GB) 1993-09-29 EP disclosed
WO-1993015078-A1 CARBAPENEMS CONTAINING A CARBOXY SUBSTITUTED PHENYL GROUP, PROCESSES FOR THEIR PREPARATION, INTERMEDIATES AND USE AS ANTIBIOTICS ZENECA LIMITED (GB) 1993-08-05 WO disclosed
US-5227376-A Quaternary ammonium carbapenem antibiotics SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 1993-07-13 US disclosed
US-5122604-A 2-(2-Carbonyl-substituted pyrrolidin-4-yl)carbapenems and -penems; microbiocides SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 1992-06-16 US disclosed
EP-0442497-A1 Novel beta-lactam compounds and their production SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1991-08-21 EP disclosed
US-4943569-A B-lactam compounds SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 1990-07-24 US disclosed
US-4933333-A β-lactam compounds SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 1990-06-12 US disclosed
EP-0126587-A1 Carboxylic thio-pyrrolidinyl beta-lactam compounds and production thereof SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1984-11-28 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 (3 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-20050209212-A1 Antibiotic compounds NRDC, NPR3, NGLY1 ATM 3490/4885TDP1 4234/4885ALDH1A1 3269/4885
US-20020042408-A1 Antibiotic compounds NRDC, NGLY1, NR4A1 ATM 3895/4885TDP1 2401/4885ALDH1A1 1382/4885
US-20030144264-A1 Antibiotic compounds NRDC, NGLY1, NR4A1 ATM 3950/4885TDP1 2436/4885ALDH1A1 1579/4885

“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.