SCHEMBL8226967

SCHEMBL8226967

C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3cn4cnc(C(=O)c5ccc[n+](CC(N)=O)c5)c4s3)[C@H](C)[C@H]12

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.32
PTGS1 P23219 1/20 0.32
PDE4A P27815 1/20 0.32
CACNA1C Q13936 1/20 0.31

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
SCHEMBL13501610 1.00 ESR1 (0.32) ESR1PTGS1PDE4ACACNA1C
Iodide SCHEMBL5235454 0.99 ESR1 (0.32) ESR1PTGS1PDE4ACACNA1C
SCHEMBL29597347 0.94 ABCC2 (0.31)
SCHEMBL304850 0.94 ABCC2 (0.31)
SCHEMBL13946392 0.93 ESR1 (0.31) ESR1PTGS1PDE4ACACNA1C
Iodide SCHEMBL5234153 0.91 ESR1 (0.30) ESR1PTGS1PDE4ACACNA1C
SCHEMBL13951014 0.90
Bromide SCHEMBL5234844 0.90 NPSR1 (0.32) ESR1PTGS1PDE4A
SCHEMBL12809139 0.89
SCHEMBL13764758 0.87

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160326157-A1 MONOBACTAMS AND METHODS OF THEIR SYNTHESIS AND USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-11-10 US disclosed
US-9409896-B2 Sustained release pharmaceutical compositions comprising an antibacterial agent MELINTA THERAPEUTICS, INC. (US) 2016-08-09 US disclosed
EP-2124942-B1 Combination medicaments for treating bacterial infections BASILEA PHARMACEUTICA AG (CH) 2016-04-27 EP disclosed
US-20160058750-A1 METHODS OF TREATING INFECTIONS IN OVERWEIGHT AND OBESE PATIENTS USING ANTIBIOTICS MELINTA SUBSIDIARY CORP. 2016-03-03 US disclosed
WO-2014152332-A1 METHODS OF TREATING INFECTIONS IN OVERWEIGHT AND OBESE PATIENTS USING ANTIBIOTICS MELINTA THERAPEUTICS, INC. (US) 2014-09-25 WO disclosed
WO-2012061360-A2 PHARMACEUTICAL COMPOSITIONS RIB-X PHARMACEUTICALS, INC. (US) 2012-05-10 WO disclosed
US-20100317621-A1 BETA-LACTAMASE INHIBITORS PROTEZ PHARMACEUTICALS, INC. 2010-12-16 US disclosed
US-20100292185-A1 BETA-LACTAMASE INHIBITORS NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD (BM) 2010-11-18 US disclosed
US-20100286092-A1 BETA-LACTAMASE INHIBITORS NOVARTIS INTERNATIONAL PHARMACEUTICAL, LTD. (BM) 2010-11-11 US disclosed
US-7662841-B2 Imidazothiazole derivatives and process for producing the same MEIJI SEIKA KAISHA, LTD. (JP) 2010-02-16 US disclosed
US-20090082571-A1 Intermediates of 2-substituted carbapenem derivatives and process for production thereof SASAKI TOSHIRO 2009-03-26 US disclosed
US-20090082571-A1 Intermediates of 2-substituted carbapenem derivatives and process for production thereof SASAKI TOSHIRO 2009-03-26 US disclosed
US-20090036685-A1 Process for Producing Imidazothiazole Derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2009-02-05 US disclosed
WO-2008085913-A1 METHODS FOR TREATING, PREVENTING, OR REDUCING THE RISK OF OPTHALMIC, OTIC, AND NASAL INFECTIONS RIB-X PHARMACEUTICALS, INC. (US) 2008-07-17 WO disclosed
US-20080167475-A1 Intermediates of 2-substituted carbapenem derivatives and process for production thereof SASAKI TOSHIRO 2008-07-10 US disclosed
US-20080114164-A1 Imidazothiazole Derivatives and Process for Producing the Same MEIJI SEIKA KAISHA, LTD. (JP) 2008-05-15 US disclosed
US-20080076917-A1 Intermediates of 2-Substituted Carbapenem Derivatives and Process for Production Thereof MEIJI SEIKA KAISHA, LTD. (JP) 2008-03-27 US disclosed
US-20080076917-A1 Intermediates of 2-Substituted Carbapenem Derivatives and Process for Production Thereof MEIJI SEIKA KAISHA, LTD. (JP) 2008-03-27 US disclosed
WO-2008020904-A2 METHOD FOR REDUCING THE RISK OF OR PREVENTING INFECTION DUE TO SURGICAL OR INVASIVE MEDICAL PROCEDURES RIB-X PHARMACEUTICALS, INC. (US) 2008-02-21 WO disclosed
EP-1840129-A1 IMIDAZOTHIAZOLE DERIVATIVE AND METHOD FOR PRODUCING SAME MEIJI SEIKA KAISHA LTD. (JP) 2007-10-03 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 (10 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-20160326157-A1 MONOBACTAMS AND METHODS OF THEIR SYNTHESIS AND USE MGAM, BPGM, MRPL21 ESR1 4042/4885PTGS1 1825/4885PDE4A 3233/4885
US-20100317621-A1 BETA-LACTAMASE INHIBITORS GANAB, BPGM, BLVRB ESR1 2915/4885PTGS1 2156/4885PDE4A 1447/4885
US-20160058750-A1 METHODS OF TREATING INFECTIONS IN OVERWEIGHT AND OBESE PATIENTS USING ANTIBIOTICS NCEH1, NRDC, LPL ESR1 3428/4885PTGS1 2799/4885PDE4A 2890/4885
US-20080167475-A1 Intermediates of 2-substituted carbapenem derivatives and process for production thereof MGAM, G6PD, COASY ESR1 4035/4885PTGS1 1559/4885PDE4A 1053/4885
US-20080076917-A1 Intermediates of 2-Substituted Carbapenem Derivatives and Process for Production Thereof MGAM, G6PD, COASY ESR1 4035/4885PTGS1 1559/4885PDE4A 1053/4885
US-20100292185-A1 BETA-LACTAMASE INHIBITORS GANAB, BPGM, BLVRB ESR1 2915/4885PTGS1 2156/4885PDE4A 1447/4885
US-20080114164-A1 Imidazothiazole Derivatives and Process for Producing the Same MGAM2, OXA1L, CSNK2A2 ESR1 2517/4885PTGS1 3792/4885PDE4A 4029/4885
US-20090082571-A1 Intermediates of 2-substituted carbapenem derivatives and process for production thereof MGAM, G6PD, COASY ESR1 4035/4885PTGS1 1559/4885PDE4A 1053/4885
US-20090036685-A1 Process for Producing Imidazothiazole Derivatives NAMPT, NAPRT, NNT ESR1 4433/4885PTGS1 1905/4885PDE4A 1461/4885
US-20100286092-A1 BETA-LACTAMASE INHIBITORS GANAB, BPGM, BLVRB ESR1 2915/4885PTGS1 2156/4885PDE4A 1447/4885

“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.