SCHEMBL336664

SCHEMBL336664

CC(=O)OCc1ccc(CBr)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
GAA P10253 1/20 0.45
CYP3A4 P08684 2/20 0.44
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 4/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.38
HTT P42858 3/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
MAPK1 P28482 1/20 0.37
NOTUM Q6P988 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
PKM P14618 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HSD17B10 Q99714 2/20 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
SCHEMBL1467378 0.84 CYP3A4 (0.46) CYP4F2CYP4A11GAACYP3A4ALDH1A1
SCHEMBL11888397 0.80 GAA (0.64) GAACYP3A4L3MBTL1SMN1; SMN2HTT
SCHEMBL27666258 0.79 CYP3A4 (0.53) GAACYP3A4ALDH1A1L3MBTL1POLB
SCHEMBL27666267 0.79 CYP3A4 (0.53) GAACYP3A4ALDH1A1SMN1; SMN2HTT
SCHEMBL336642 0.79 ALDH1A1 (0.51) GAACYP3A4ALDH1A1L3MBTL1POLB
SCHEMBL9687102 0.78 L3MBTL1 (0.61) GAACYP3A4ALDH1A1L3MBTL1POLB
SCHEMBL9382898 0.76 CYP4F2 (0.39) CYP4F2CYP4A11CYP3A4ALDH1A1POLB
SCHEMBL30908568 0.76 ALDH1A1 (0.42) CYP4F2CYP4A11CYP3A4ALDH1A1L3MBTL1
SCHEMBL27955323 0.76 MAPT (0.46) GAACYP3A4ALDH1A1L3MBTL1POLB
SCHEMBL3790510 0.76 ALDH1A1 (0.64) CYP4F2CYP4A11CYP3A4ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2300476-B1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LTD (GB) 2014-01-08 EP disclosed
EP-2300476-B1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LTD (GB) 2014-01-08 EP disclosed
US-8097628-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-01-17 US disclosed
US-8097628-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-01-17 US disclosed
US-8097628-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-01-17 US disclosed
EP-2300476-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS Glaxo Group Limited (GB) 2011-03-30 EP disclosed
US-20090306089-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-10 US disclosed
US-20090306089-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-10 US disclosed
US-20090306089-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-10 US disclosed
WO-2009141398-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2009-11-26 WO disclosed
WO-2009141398-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2009-11-26 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-20090306089-A1 COMPOUNDS SDHA, NQO1, SDHB CYP4F2 118/4885CYP4A11 88/4885GAA 261/4885

“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.