SCHEMBL1126715

SCHEMBL1126715

CCOC(=O)C(=NO)C(=O)CCOC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
MAPT P10636 5/20 0.34
FAAH O00519 2/20 0.33
ABCB1 P08183 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
GLO1 Q04760 1/20 0.32
ALDH1A1 P00352 4/20 0.32
TSHR P16473 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 2/20 0.31
HSD17B10 Q99714 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
GAA P10253 2/20 0.30
MEN1 O00255 1/20 0.30
PLIN1 O60240 1/20 0.30
POLB P06746 1/20 0.30
PLIN5 Q00G26 1/20 0.30
KMT2A Q03164 1/20 0.30
ABHD5 Q8WTS1 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
SCHEMBL1126713 1.00 APOBEC3A (0.36) APOBEC3AAPOBEC3GMAPTFAAHABCB1
SCHEMBL9310086 0.83 CES2 (0.42) APOBEC3AAPOBEC3GMAPTFAAHABCB1
SCHEMBL17803137 0.83 TSHR (0.33) ALDH1A1TSHR
SCHEMBL17803135 0.83 TSHR (0.33) ALDH1A1TSHR
SCHEMBL9310089 0.83 CES2 (0.42) APOBEC3AAPOBEC3GMAPTFAAHABCB1
SCHEMBL3018120 0.81 FAAH (0.46) MAPTFAAHNPSR1GLO1ALDH1A1
SCHEMBL4935739 0.80 CYP1A2 (0.41) APOBEC3AAPOBEC3GMAPTFAAHABCB1
SCHEMBL4935734 0.80 CYP1A2 (0.41) APOBEC3AAPOBEC3GMAPTFAAHABCB1
SCHEMBL7766372 0.79 SOAT1 (0.41) APOBEC3AAPOBEC3GMAPTFAAHABCB1
SCHEMBL7766368 0.79 SOAT1 (0.41) APOBEC3AAPOBEC3GMAPTFAAHABCB1

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-9452168-B2 Pyrrole antifungal agents F2G LTD (GB) 2016-09-27 US disclosed
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-08-27 US disclosed
US-8993574-B2 Pyrrole antifungal agents F2G LTD (GB) 2015-03-31 US disclosed
EP-2283006-B1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-02-25 EP disclosed
EP-2626361-B1 Pyrrole antifungal agents F2G LTD (GB) 2014-10-15 EP disclosed
EP-2626361-A1 Pyrrole antifungal agents F2G Limited (GB) 2013-08-14 EP disclosed
US-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2011-06-23 US disclosed
EP-2283006-A1 PYRROLE ANTIFUNGAL AGENTS F2G Limited (GB) 2011-02-16 EP disclosed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 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 (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-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 APOBEC3A 3432/4885APOBEC3G 3884/4885MAPT 1696/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 APOBEC3A 3432/4885APOBEC3G 3884/4885MAPT 1696/4885

“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.