SCHEMBL195654

SCHEMBL195654

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
ATM Q13315 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
CCR5 P51681 2/20 0.37
MAOB P27338 1/20 0.36
HTT P42858 2/20 0.36
HTR2A P28223 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.35

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
SCHEMBL9201993 1.00 ALDH1A1 (0.39) ALDH1A1ATMMAPTHPGDTDP1
SCHEMBL9728172 1.00 ALDH1A1 (0.39) ALDH1A1ATMMAPTHPGDTDP1
SCHEMBL9728220 1.00 ALDH1A1 (0.39) ALDH1A1ATMMAPTHPGDTDP1
SCHEMBL9200986 1.00 ALDH1A1 (0.39) ALDH1A1ATMMAPTHPGDTDP1
SCHEMBL9734477 0.91 ALDH1A1 (0.39) ALDH1A1ATMMAPTHPGDTDP1
SCHEMBL20634425 0.89 ALDH1A1 (0.40) ALDH1A1ATMMAPTHPGDTDP1
SCHEMBL5095110 0.89 ATM (0.43) ALDH1A1ATMMAPTHPGDTDP1
SCHEMBL8541738 0.89 ATM (0.43) ALDH1A1ATMMAPTHPGDTDP1
SCHEMBL9728021 0.89 ATM (0.43) ALDH1A1ATMMAPTHPGDTDP1
SCHEMBL9381292 0.89 ATM (0.43) ALDH1A1ATMMAPTHPGDTDP1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035357-A1 PROCESS FOR THE PREPARATION OF CARBAPENEM ANTIBIOTIC ORCHID CHEMICALS & PHARMACEUTICALS LTD. (IN) 2012-02-09 US disclosed
EP-2401278-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF CARBAPENEM ANTIBIOTIC Orchid Chemicals&Pharmaceuticals Limited (IN) 2012-01-04 EP disclosed
WO-2010097686-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF CARBAPENEM ANTIBIOTIC ORCHID CHEMICALS & PHARMACEUTICALS LTD (IN) 2010-09-02 WO disclosed
US-20070197781-A1 PROCESSES FOR THE PREPARATION OF CARBAPENEMS RANBAXY LABORATORIES LIMITED (IN) 2007-08-23 US disclosed
EP-0126587-B1 Carboxylic thio-pyrrolidinyl beta-lactam compounds and production thereof SUMITOMO PHARMA (JP) 1995-04-19 EP 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
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 (2 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-20120035357-A1 PROCESS FOR THE PREPARATION OF CARBAPENEM ANTIBIOTIC MGAM, PDHB, SI ALDH1A1 2609/4885ATM 1670/4885MAPT 3355/4885
US-20070197781-A1 PROCESSES FOR THE PREPARATION OF CARBAPENEMS MGAM, SI, TREH ALDH1A1 3941/4885ATM 3078/4885MAPT 3065/4885

“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.