SCHEMBL305170

SCHEMBL305170

O=C(OCI)OC1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.41
HTT P42858 1/20 0.41
NAAA Q02083 2/20 0.39
CYP2C19 P33261 1/20 0.39
CYP19A1 P11511 4/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
MMP1 P03956 1/20 0.31
MMP9 P14780 1/20 0.31
MMP12 P39900 1/20 0.31
FABP7 O15540 1/20 0.30
FABP5 Q01469 1/20 0.30
STS P08842 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
BCHE P06276 1/20 0.30

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
SCHEMBL303883 0.98 EPHX1 (0.44) EPHX1HTTNAAACYP2C19CYP19A1
SCHEMBL2719403 0.96 EPHX1 (0.37) EPHX1HTTNAAACYP2C19CYP19A1
SCHEMBL6007716 0.83 EPHX1 (0.46) EPHX1HTTNAAACYP2C19CYP19A1
SCHEMBL2956734 0.82 EPHX1 (0.42) EPHX1HTTNAAACYP2C19CYP19A1
SCHEMBL305711 0.82 L3MBTL1 (0.35) L3MBTL1
SCHEMBL17625372 0.80 EPHX1 (0.42) EPHX1HTTNAAACYP2C19CYP19A1
SCHEMBL4248940 0.79 EPHX1 (0.43) EPHX1HTTNAAACYP2C19CYP19A1
SCHEMBL305155 0.78 ALDH1A1 (0.50) EPHX1HTTNAAACYP2C19CYP19A1
SCHEMBL6007723 0.78 EPHX1 (0.46) EPHX1HTTNAAACYP2C19CYP19A1
SCHEMBL4690944 0.78 EPHX1 (0.46) EPHX1HTTNAAACYP2C19CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS MEIJI SEIKA KAISHA (JP) 2016-06-02 US disclosed
US-9260375-B2 Metallo-β-lactamase inhibitors MEIJI SEIKA KAISHA, LTD. (JP) 2016-02-16 US disclosed
CN-102964239-B metal-beta-lactamase inhibitor MEIJI SEIKA PHARMA CO., LTD. (JP) 2016-01-20 CN disclosed
US-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 US disclosed
US-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 US disclosed
US-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 US disclosed
US-8344154-B2 2-thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2013-01-01 US disclosed
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 US disclosed
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2007-01-04 US disclosed
US-20040176350-A1 Carbapenem compound KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2004-09-09 US disclosed
EP-1398314-A1 CARBAPENEM COMPOUND Kyoto Pharmaceutical Industries, Ltd. (JP) 2004-03-17 EP disclosed
US-6677331-B2 HAVING SUBSTITUTED IMIDAZO(5,1-B)THIAZOLE GROUP AT 2-POSITION; MICROBIOCIDES AGAINST BETA-LACTAMASE PRODUCING BACTERIA AND RESISTANT PSEUDOMONAS MEIJI SEIKA KAISHA, LTD. (JP) 2004-01-13 US disclosed
US-20030149016-A1 Novel carbapenem derivatives KANO YUKO (JP) 2003-08-07 US disclosed
US-6458780-B1 IMIDAZO(5,1-B)THIAZOLE GROUP AT THE 2-POSITION ON THE CARBAPENEM RING HAVE HIGH ANTI-MICROBIAL ACTIVITIES AGAINST .BETA.-LACTAMASE PRODUCING BACTERIA, MRSA, RESISTANT-PSEUDOMONAS AERUGINOSA, PRSP, ENTEROCOCCI, AND MEIJI SEIKA KAISHA, LTD. (JP) 2002-10-01 US disclosed
EP-1022279-B1 NEW CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA (JP) 2002-09-04 EP disclosed
US-6310056-B1 2-SUBSTITUTED WITH A IMIDAZO(5,1-B)THIAZOLE GROUP; TREATING INFECTIONS, INCLUDING ANTIBIOTIC RESISTANT BACTERIAL INFECTIONS MEIJI SEIKA KAISHA, LTD. (JP) 2001-10-30 US disclosed
EP-1101766-A1 NOVEL CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA LTD. (JP) 2001-05-23 EP disclosed
EP-1022279-A1 NEW CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA LTD. (JP) 2000-07-26 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 (5 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-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MTAP, BLVRB, BPGM EPHX1 3352/4885HTT 3371/4885NAAA 44/4885
US-20040176350-A1 Carbapenem compound ALPI, SI, OXA1L EPHX1 2676/4885HTT 4697/4885NAAA 793/4885
US-20030149016-A1 Novel carbapenem derivatives DPEP1, TMPRSS15, STK35 EPHX1 3016/4885HTT 3821/4885NAAA 995/4885
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE REN, AGTR1, AGTR2 EPHX1 2234/4885HTT 4266/4885NAAA 460/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA EPHX1 3262/4885HTT 4875/4885NAAA 92/4885

“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.