SCHEMBL305152

SCHEMBL305152

[CH2]OC(=O)OCCC(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.43
CA12 O43570 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
PKM P14618 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
MAPK1 P28482 3/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP19A1 P11511 1/20 0.40
PPARG P37231 1/20 0.36
LMNA P02545 1/20 0.36
CHRNB2 P17787 3/20 0.35
CHRNA4 P43681 3/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
TSHR P16473 2/20 0.34

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
SCHEMBL5511599 0.87 TDP1 (0.36) CA1CA12CA2CA9PKM
SCHEMBL17075163 0.85 CA1 (0.50) CA1CA12CA2CA9PKM
SCHEMBL610682 0.85 CA1 (0.50) CA1CA12CA2CA9PKM
Bicarbonate SCHEMBL28723134 0.81 CA1 (0.46) CA1CA12CA2CA9PKM
SCHEMBL14311948 0.81 CA1 (0.46) CA1CA12CA2CA9PKM
SCHEMBL305153 0.81 MAPK1 (0.47) CA1CA12CA2CA9PKM
SCHEMBL312855 0.80 CA1 (0.42) CA1CA12CA2CA9PKM
SCHEMBL697643 0.80 CA1 (0.42) CA1CA12CA2CA9PKM
SCHEMBL4740229 0.78 CA1 (0.41) CA1CA12CA2CA9PKM
SCHEMBL13301164 0.77 TSHR (0.43) CA1CA12CA2CA9PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2423199-A1 Substituted imidazoles and their use as pesticides Pfizer Limited (GB) 2012-02-29 EP claimed
EP-1981853-B1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES PFIZER LTD (GB) 2011-04-13 EP claimed
US-7687490-B2 2-thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2010-03-30 US claimed
US-20090312326-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2009-12-17 US claimed
US-7547718-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-16 US claimed
US-7544706-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-09 US claimed
EP-1981853-A1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES Pfizer Limited (GB) 2008-10-22 EP claimed
US-20080125473-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-29 US claimed
US-20080119536-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-22 US claimed
EP-1870412-A1 2-THIOETHENYL CARBAPENEM DERIVATIVE MEIJI SEIKA KAISHA LTD. (JP) 2007-12-26 EP claimed
WO-2007083207-A1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES PFIZER LIMITED (GB) 2007-07-26 WO claimed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 US claimed
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2007-01-04 US claimed
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
EP-2415875-B1 METHOD FOR IDENTIFICATION OF METALLO-[BETA]-LACTAMASE-PRODUCING BACTERIUM MEIJI SEIKA PHARMA CO LTD (JP) 2015-11-04 EP disclosed
EP-1209166-A1 NOVEL A-500359 DERIVATIVES Sankyo Company, Limited (JP) 2002-05-29 EP disclosed
US-5827863-A Pyrazole derivatives as angiotensin II antagonists J. URIACH & CIA, S.A. (ES) 1998-10-27 US disclosed
EP-0721454-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA. S.A. (ES) 1996-07-17 EP disclosed
WO-1996004273-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA, S.A. (ES) 1996-02-15 WO 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 (6 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-20080125473-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CA1 3378/4885CA12 3863/4885CA2 826/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CA1 3378/4885CA12 3863/4885CA2 826/4885
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MTAP, BLVRB, BPGM CA1 3160/4885CA12 799/4885CA2 1641/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CA1 3378/4885CA12 3863/4885CA2 826/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CA1 3378/4885CA12 3863/4885CA2 826/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA CA1 921/4885CA12 953/4885CA2 355/4885

“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.