SCHEMBL1682776

SCHEMBL1682776

O=C(CC(=O)C(F)(F)C(F)F)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
CYP3A4 P08684 2/20 0.55
HPGD P15428 2/20 0.55
CES1 P23141 2/20 0.55
MAPK1 P28482 2/20 0.55
MAPT P10636 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ALOX15 P16050 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
PTPN1 P18031 3/20 0.48
ERCC5 P28715 1/20 0.48
FEN1 P39748 1/20 0.48
PLOD2 O00469 5/20 0.47
POLB P06746 1/20 0.46
PLOD3 O60568 3/20 0.46
PLOD1 Q02809 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HIF1A Q16665 2/20 0.46

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
SCHEMBL523476 0.81 PLOD2 (0.69) KMT2AMEN1CYP3A4HPGDCES1
SCHEMBL9565951 0.79 PLOD2 (0.67) KMT2AMEN1CYP3A4HPGDCES1
SCHEMBL30846025 0.79 PLOD2 (0.67) KMT2AMEN1CYP3A4HPGDCES1
SCHEMBL9654173 0.79 PLOD2 (0.67) KMT2AMEN1CYP3A4HPGDCES1
SCHEMBL9630807 0.79 PLOD2 (0.67) KMT2AMEN1CYP3A4HPGDCES1
SCHEMBL10613054 0.79 PLOD2 (0.67) KMT2AMEN1CYP3A4HPGDCES1
SCHEMBL14537550 0.78 KMT2A (0.59) KMT2AMEN1CYP3A4HPGDCES1
SCHEMBL1682774 0.78 MEN1 (0.59) KMT2AMEN1CYP3A4HPGDCES1
SCHEMBL8641213 0.78 KMT2A (0.59) KMT2AMEN1CYP3A4HPGDCES1
SCHEMBL8911789 0.77 PLOD2 (0.46) KMT2AMEN1HPGDCES1MAPT

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-9101635-B2 Inhibitors of filovirus entry into host cells MICROBIOTIX, INC. (US) 2015-08-11 US disclosed
US-20120189614-A1 INHIBITORS OF FILOVIRUS ENTRY INTO HOST CELLS Crobiotix, Inc. (US) 2012-07-26 US disclosed
EP-2451278-A2 INHIBITORS OF FILOVIRUS ENTRY INTO HOST CELLS Microbiotix, Inc. (US) 2012-05-16 EP disclosed
WO-2011046646-A2 INHIBITORS OF FILOVIRUS ENTRY INTO HOST CELLS MICROBIOTIX, INC. (US) 2011-04-21 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-20120189614-A1 INHIBITORS OF FILOVIRUS ENTRY INTO HOST CELLS BSG, SLCO1B3, SLCO2B1 KMT2A 4787/4885MEN1 4472/4885CYP3A4 612/4885

“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.