SCHEMBL1682774

SCHEMBL1682774

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.59
▸ KMT2A Q03164 3/20 0.59
▸ CYP3A4 P08684 2/20 0.59
▸ HPGD P15428 2/20 0.59
▸ CES1 P23141 2/20 0.59
▸ MAPK1 P28482 2/20 0.59
▸ MAPT P10636 2/20 0.59
▸ TDP1 Q9NUW8 2/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ ALOX15 P16050 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ PTPN1 P18031 3/20 0.52
▸ ERCC5 P28715 1/20 0.52
▸ FEN1 P39748 1/20 0.52
▸ PLOD2 O00469 5/20 0.50
▸ POLB P06746 2/20 0.49
▸ PLOD3 O60568 3/20 0.49
▸ PLOD1 Q02809 3/20 0.49
▸ ALDH1A1 P00352 3/20 0.48
▸ HIF1A Q16665 2/20 0.48

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
SCHEMBL2262230 0.89 MEN1 (0.55) MEN1KMT2ACYP3A4HPGDCES1
SCHEMBL20690192 0.87 MEN1 (0.53) MEN1KMT2ACYP3A4HPGDCES1
SCHEMBL11836186 0.86 MEN1 (0.52) MEN1KMT2ACYP3A4HPGDCES1
SCHEMBL7581750 0.86 MEN1 (0.52) MEN1KMT2ACYP3A4HPGDCES1
SCHEMBL7587858 0.86 MEN1 (0.52) MEN1KMT2ACYP3A4HPGDCES1
SCHEMBL30466754 0.86 MEN1 (0.52) MEN1KMT2ACYP3A4HPGDCES1
SCHEMBL523476 0.84 PLOD2 (0.69) MEN1KMT2ACYP3A4HPGDCES1
SCHEMBL4599899 0.83 PLOD2 (0.73) MEN1KMT2AHPGDCES1MAPT
SCHEMBL10613054 0.82 PLOD2 (0.67) MEN1KMT2ACYP3A4HPGDCES1
SCHEMBL30846025 0.82 PLOD2 (0.67) MEN1KMT2ACYP3A4HPGDCES1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5316909-A Quantitative analysis WALLAC OY (FI) 1994-05-31 — — US claimed
WO-1992016840-A1 LANTHANID FLUORESCENCE ASSAY OY DATACITY CENTER AB (FI) 1992-10-01 — — WO claimed
US-11643561-B2 Process for the preparation of metallic nano-particle layers and their use for decorative or security elements BASF SE 2023-05-09 — — US disclosed
US-9101635-B2 Inhibitors of filovirus entry into host cells MICROBIOTIX, INC. (US) 2015-08-11 — — US disclosed
EP-1465869-B1 MODULATORS OF LXR EXELIXIS PATENT CO LLC (US) 2013-05-15 — — EP 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
US-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 — — US disclosed
US-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 — — US disclosed
US-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 — — US disclosed
WO-2011046646-A2 INHIBITORS OF FILOVIRUS ENTRY INTO HOST CELLS MICROBIOTIX, INC. (US) 2011-04-21 — — WO disclosed
US-20080027059-A1 SUBSTITUTED ISOXAZOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, METHODS OF PREPARING SAME, AND USES OF SAME BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-01-31 — — US disclosed
WO-2008006561-A1 SUBSTITUTED ISOXALINES, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, METHODS OF PREPARING SAME, AND USES OF SAME BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-01-17 — — WO disclosed
US-20070020700-A1 Lateral flow assay and device using magnetic particles IDEXX LABORATORIES, INC. 2007-01-25 — — US disclosed
US-20070020699-A1 Lateral flow assay and device using magnetic particles IDEXX LABORATORIES, INC. (US) 2007-01-25 — — US disclosed
WO-2007011936-A2 LATERAL FLOW ASSAY AND DEVICE USING MAGNETIC PARTICLES IDEXX LABORATORIES, INC. (US) 2007-01-25 — — WO disclosed
EP-1465869-A4 MODULATORS OF LXR X CEPTOR THERAPEUTICS INC (US) 2005-12-28 — — EP disclosed
EP-1465869-A1 MODULATORS OF LXR X-Ceptor Therapeutics, Inc. (US) 2004-10-13 — — EP disclosed
US-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS, INC. 2003-09-25 — — US disclosed
WO-2003059884-A1 MODULATORS OF LXR X-CEPTOR THERAPEUTICS, INC. (US) 2003-07-24 — — 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-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors NR1H2, NR1H3, NCOA1 MEN1 4405/4885KMT2A 1794/4885CYP3A4 197/4885
US-20120189614-A1 INHIBITORS OF FILOVIRUS ENTRY INTO HOST CELLS BSG, SLCO1B3, SLCO2B1 MEN1 4472/4885KMT2A 4787/4885CYP3A4 612/4885
US-20080027059-A1 SUBSTITUTED ISOXAZOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, METHODS OF PREPARING SAME, AND USES OF SAME HDAC7, HDAC2, HDAC1 MEN1 2642/4885KMT2A 70/4885CYP3A4 170/4885

“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.

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