SCHEMBL195204

SCHEMBL195204

NS(=O)(=O)NC[C@@H]1C[C@H](S)CN1C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
RAB9A P51151 4/20 0.38
ALDH1A1 P00352 2/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
MAPT P10636 3/20 0.38
NPC1 O15118 2/20 0.38
ATM Q13315 1/20 0.38
HPGD P15428 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
IDO1 P14902 1/20 0.36

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
SCHEMBL195205 1.00 CA12 (0.40) CA12CA1CA2CA7CA9
SCHEMBL9519385 0.90 ALDH1A1 (0.40) TDP1ALDH1A1MAPTATMHPGD
SCHEMBL7805565 0.85 CA12 (0.41) CA12CA1CA2CA9ALDH1A1
SCHEMBL7811546 0.84 RAB9A (0.43) TDP1RAB9AALDH1A1DPP8DPP9
SCHEMBL10364355 0.83 TDP1 (0.43) TDP1RAB9AALDH1A1MAPTNPC1
SCHEMBL6398540 0.83 TDP1 (0.43) TDP1RAB9AALDH1A1MAPTNPC1
SCHEMBL8759638 0.83 TDP1 (0.43) TDP1RAB9AALDH1A1MAPTNPC1
SCHEMBL10370030 0.83 RAB9A (0.42) TDP1RAB9AALDH1A1DPP8DPP9
SCHEMBL7811544 0.82 CCR5 (0.41) TDP1RAB9AMAPTNPC1ATM
SCHEMBL10370916 0.82 RAB9A (0.42) TDP1RAB9AALDH1A1DPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729260-B2 Process for the preparation of carbapenem using cabapenem intermediates and recovery of cabapenem SAVIOR LIFETEC CORPORATION (TW) 2014-05-20 US disclosed
WO-2012114280-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF PYRROLIDINE THIOL DERIVATIVES USEFUL IN THE SYNTHESIS OF CARBAPENEM COMPOUNDS ORCHID CHEMICALS AND PHARMACEUTICALS LIMITED (IN) 2012-08-30 WO disclosed
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
US-20110288289-A1 Preparation of Carbapenem Intermediate and Their Use SAVIOR LIFETEC CORPORATION (TW) 2011-11-24 US disclosed
US-20110288290-A1 PROCESS FOR THE PREPARATION OF CARBAPENEM USING CABAPENEM INTERMEDIATES AND RECOVERY OF CABAPENEM SAVIOR LIFETEC CORPORATION (TW) 2011-11-24 US disclosed
EP-2388261-A2 Improved process for the preparation of carbapenem using carbapenem intermediates and recovery of carbapenem Savior Lifetec Corporation (TW) 2011-11-23 EP disclosed
US-D647009-S1 Motor vehicle and/or toy replica thereof TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 2011-10-18 US disclosed
WO-2010097686-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF CARBAPENEM ANTIBIOTIC ORCHID CHEMICALS & PHARMACEUTICALS LTD (IN) 2010-09-02 WO disclosed
EP-0528678-B1 A pyrrolidylthiocarbapenem derivative with antibacterial activity SHIONOGI & CO (JP) 2001-05-23 EP disclosed
US-5703243-A Intermediates for pyrrolidylthiocarbapenem derivative SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1997-12-30 US disclosed
US-5317016-A Pyrrolidylthiocarbapenem derivative SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1994-05-31 US disclosed
EP-0528678-A1 A pyrrolidylthiocarbapenem derivative SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1993-02-24 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-20120035357-A1 PROCESS FOR THE PREPARATION OF CARBAPENEM ANTIBIOTIC MGAM, PDHB, SI CA12 1350/4885CA1 3995/4885CA2 2207/4885
US-20110288289-A1 Preparation of Carbapenem Intermediate and Their Use SI, MGAM, IDE CA12 2505/4885CA1 4566/4885CA2 4170/4885
US-20110288290-A1 PROCESS FOR THE PREPARATION OF CARBAPENEM USING CABAPENEM INTERMEDIATES AND RECOVERY OF CABAPENEM MGAM, PMM2, PYGM CA12 2285/4885CA1 4364/4885CA2 3453/4885

“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.