SCHEMBL4518752

SCHEMBL4518752

CC1CN(c2c(C=O)cc(B3OC(C)(C)C(C)(C)O3)c(F)c2F)CC(C)O1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 1/20 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
SCHEMBL4519113 0.83 KDM4E (0.34) KDM4EHTTALDH1A1
SCHEMBL4511002 0.83 KDM4E (0.40) KDM4EHTTALDH1A1
SCHEMBL5015622 0.78 KDM4E (0.39) KDM4EHTTALDH1A1
SCHEMBL3060327 0.78 KDM4E (0.39) KDM4EHTTALDH1A1
SCHEMBL4506693 0.78 KDM4E (0.39) KDM4EHTTALDH1A1
SCHEMBL3056872 0.78 KDM4E (0.39) KDM4EHTTALDH1A1
SCHEMBL3052855 0.78 KDM4E (0.36) KDM4EHTTALDH1A1
SCHEMBL2305202 0.75 TSHR (0.38) KDM4EHTTALDH1A1
SCHEMBL3073265 0.75 KDM4E (0.38) KDM4EHTTALDH1A1
SCHEMBL4495894 0.74 ALDH1A1 (0.39) KDM4EHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2620439-A1 8-pyrazinyl-S-spiropyrimidinetrione-oxazinoquinoline derivatives as antibacterial agents PAH USA 15 LLC (US) 2013-07-31 EP disclosed
US-20090275536-A1 Antibacterial Agents PFIZER INC 2009-11-05 US disclosed
US-7557100-B2 Antibacterial agents PFIZER INC. (US) 2009-07-07 US disclosed
EP-1971612-A1 8-PYRAZINYL-S-SPIROPYRIMIDINETRIONE-OXAZINOQUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS Pfizer Products Inc. (US) 2008-09-24 EP disclosed
EP-1888597-A2 ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2008-02-20 EP disclosed
US-20070197518-A1 Antibacterial agents WARNER LAMBERT COMPANY LLC 2007-08-23 US disclosed
WO-2007072151-A1 8-PYRAZINYL-S-SPIROPYRIMIDINETRIONE-OXAZINOQUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS PFIZER PRODUCTS INC. (US) 2007-06-28 WO disclosed
WO-2006120563-A2 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2006-11-16 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-20090275536-A1 Antibacterial Agents CLPP, MRPL21, SPOUT1 KDM4E 4288/4885HTT 3802/4885ALDH1A1 3063/4885
US-20070197518-A1 Antibacterial agents CLPP, MRPL21, SPOUT1 KDM4E 4288/4885HTT 3802/4885ALDH1A1 3063/4885

“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.