SCHEMBL2363363

SCHEMBL2363363

O=C(CC/C(=N/O)OC(=O)c1ccccc1F)OC(=O)c1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
ALDH1A1 P00352 3/20 0.39
ALOX15 P16050 1/20 0.39
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ADRB2 P07550 2/20 0.36
ADRB1 P08588 2/20 0.36
ADRB3 P13945 2/20 0.36
PTPN1 P18031 1/20 0.36
ERCC5 P28715 1/20 0.36
FEN1 P39748 1/20 0.36
TP53 P04637 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
SCHEMBL2362641 0.82 RAB9A (0.41) CES2CES1ALDH1A1KMT2AHTT
SCHEMBL5195782 0.82 CYP3A4 (0.33) ALDH1A1KDM4E
SCHEMBL2362865 0.81 NAPRT (0.45) ALDH1A1KMT2ACASP3SENP8SENP7
SCHEMBL9244293 0.80 AKR1C3 (0.44) ALDH1A1KMT2ACYP1A2CYP2C19GAA
SCHEMBL2200203 0.78 ALDH1A1 (0.50) CES2CES1ALDH1A1ALOX15KMT2A
SCHEMBL2356948 0.78 PRSS1 (0.42) ALDH1A1KMT2ACYP2C19CASP3SENP7
SCHEMBL2363486 0.78 CTSD (0.44) ALDH1A1KMT2AHTTGAAL3MBTL1
SCHEMBL2295910 0.76 HTT (0.51) ALDH1A1KMT2AKDM4EHTTGAA
SCHEMBL2289029 0.76 CAPN1 (0.37) ALDH1A1KMT2AKDM4EPTPN1HTT
SCHEMBL27885277 0.76 CES2 (0.50) CES2CES1ALDH1A1ALOX15KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989430-B2 Antibacterial agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2011-08-02 US disclosed
US-20080293666-A1 Antibacterial Agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2008-11-27 US disclosed
EP-1960518-A2 ANTIBACTERIAL AGENTS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2008-08-27 EP disclosed
WO-2007067559-A2 ANTIBACTERIAL AGENTS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2007-06-14 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 (1 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-20080293666-A1 Antibacterial Agents MRPL21, ABCB7, MSR1 CES2 2837/4885CES1 3795/4885ALDH1A1 1972/4885

“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.