SCHEMBL219552

SCHEMBL219552

COC(=O)c1cc(Br)ccc1NC(=O)C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
GAA P10253 1/20 0.59
KDM4E B2RXH2 2/20 0.43
NR4A2 P43354 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
ABCG2 Q9UNQ0 2/20 0.43
KCNK2 O95069 1/20 0.42
KCNK10 P57789 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
PDK1 Q15118 3/20 0.41
PDK2 Q15119 3/20 0.41
PDK3 Q15120 3/20 0.41
PDK4 Q16654 3/20 0.41
MAPT P10636 1/20 0.41
GFER P55789 1/20 0.41

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
SCHEMBL3605714 0.84 KDM4E (0.58) ALDH1A1GAAKDM4ESMN1; SMN2LMNA
SCHEMBL5899451 0.81 ALDH1A1 (0.67) ALDH1A1GAAKDM4ENR4A2SMN1; SMN2
SCHEMBL6218278 0.81 KDM4E (0.49) ALDH1A1GAAKDM4ELMNAKCNK2
SCHEMBL16651686 0.81 ALDH1A1 (0.54) ALDH1A1GAAKDM4ESMN1; SMN2CYP1A2
SCHEMBL1238843 0.81 CYP1A2 (0.54) ALDH1A1GAASMN1; SMN2LMNACYP1A2
SCHEMBL8589755 0.80 CCR9 (0.53) ALDH1A1GAAKDM4ESMN1; SMN2LMNA
SCHEMBL3603041 0.80 PDK1 (0.48) ALDH1A1GAAKDM4ESMN1; SMN2LMNA
SCHEMBL746589 0.78 MAPT (0.52) ALDH1A1GAALMNACYP1A2CYP2C9
SCHEMBL27953738 0.78 KMT2A (0.63) ALDH1A1GAAKDM4ESMN1; SMN2LMNA
SCHEMBL17042042 0.78 SOS1 (0.44) ALDH1A1GAAKDM4ELMNAKCNK2

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-8481544-B2 Antibacterial compositions BIOTA EUROPE LIMITED (GB) 2013-07-09 US disclosed
US-8389516-B2 Antibacterial compositions BIOTA EUROPE LIMITED (GB) 2013-03-05 US disclosed
EP-2034997-B1 ANTIBACTERIAL COMPOSITIONS BIOTA EUROPE LTD (GB) 2012-10-17 EP disclosed
US-20120004221-A1 Antibacterial Compositions BIOTA EUROPE LIMITED (GB) 2012-01-05 US disclosed
US-20110263590-A1 Antibacterial Compositions BIOTA EUROPE LIMITED (GB) 2011-10-27 US disclosed
US-7977340-B2 Antibacterial compositions PROLYSIS LTD. (GB) 2011-07-12 US disclosed
US-20090197877-A1 Antibacterial Compositions PROLYSIS LTD. (GB) 2009-08-06 US disclosed
EP-2034997-A1 ANTIBACTERIAL COMPOSITIONS Prolysis Limited (GB) 2009-03-18 EP disclosed
WO-2007148093-A1 ANTIBACTERIAL COMPOSITIONS PROLYSIS LTD. (GB) 2007-12-27 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 (3 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-20120004221-A1 Antibacterial Compositions CYCS, COX6C, RPS6 ALDH1A1 2843/4885GAA 4780/4885KDM4E 3843/4885
US-20090197877-A1 Antibacterial Compositions CYCS, COX6C, INTS6 ALDH1A1 3469/4885GAA 4848/4885KDM4E 4304/4885
US-20110263590-A1 Antibacterial Compositions CYCS, COX6C, RPS6 ALDH1A1 2924/4885GAA 4758/4885KDM4E 3936/4885

“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.