SCHEMBL3142341

SCHEMBL3142341

N#CCCc1ccc(OS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.41
CA1 P00915 3/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR1A P08908 4/20 0.37
HTR1D P28221 4/20 0.37
HTR1B P28222 4/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
PTPRZ1 P23471 1/20 0.37
CXCR2 P25025 2/20 0.37
CXCR1 P25024 1/20 0.36
STS P08842 2/20 0.36
DRD2 P14416 2/20 0.35
DRD1 P21728 2/20 0.35
DRD4 P21917 2/20 0.35
DRD5 P21918 2/20 0.35
DRD3 P35462 2/20 0.35
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35

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
SCHEMBL17847695 0.81 CA2 (0.46) CA2CA1HTR1AHTR1DHTR1B
SCHEMBL6941010 0.80 PPARA (0.51) CA2CA1HTR1AHTR1DHTR1B
SCHEMBL7771915 0.78 CA2 (0.44) CA2CA1HTR1AHTR1DHTR1B
SCHEMBL26619697 0.78 HTR1A (0.52) CA2CA1HTR1AHTR1DHTR1B
SCHEMBL3841079 0.77 STS (0.59) CA2CA1KMT2AHTR1AHTR1D
SCHEMBL24080175 0.77 CA2 (0.43) CA2CA1HTR1AHTR1DHTR1B
SCHEMBL8000408 0.77 CA2 (0.67) CA2CA1HTR1AHTR1DHTR1B
SCHEMBL576035 0.76 CA2 (0.50) CA2CA1HTR1AHTR1DHTR1B
SCHEMBL4714751 0.76 PDE4A (0.46) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL5581998 0.75 FFAR1 (0.56) CA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7642361-B2 Thiophene and furan compounds ELI LILLY AND COMPANY (US) 2010-01-05 US disclosed
US-7625932-B2 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2009-12-01 US disclosed
EP-1670757-B1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS LILLY CO ELI (US) 2009-05-06 EP disclosed
US-20070105852-A1 Thiophene and furan compounds ELI LILLY AND COMPANY 2007-05-10 US disclosed
US-20070105852-A1 Thiophene and furan compounds ELI LILLY AND COMPANY 2007-05-10 US disclosed
US-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY 2007-03-22 US disclosed
US-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY 2007-03-22 US disclosed
EP-1706395-A1 THIOPHENE AND FURAN COMPOUNDS ELI LILLY AND COMPANY (US) 2006-10-04 EP disclosed
WO-2005070916-A1 THIOPHENE AND FURAN COMPOUNDS ELI LILLY AND COMPANY (US) 2005-08-04 WO disclosed
WO-2005070916-A1 THIOPHENE AND FURAN COMPOUNDS ELI LILLY AND COMPANY (US) 2005-08-04 WO disclosed
US-5919793-A QUINUCLIDINE DERIVATIVES, SQUALENE SYNTHETASE INHIBITORS, ANTICHOLESTEROL AGENTS ZENECA LIMITED (GB) 1999-07-06 US disclosed
CN-1121718-A Heterocyclic derivatives ZENECA LTD (GB) 1996-05-01 CN disclosed
EP-0696284-A1 HETEROCYCLIC DERIVATIVES ZENECA LIMITED (GB) 1996-02-14 EP disclosed
WO-1994025459-A1 HETEROCYCLIC DERIVATIVES ZENECA LIMITED (GB) 1994-11-10 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-20070105852-A1 Thiophene and furan compounds PSEN2, PSEN1, TPMT CA2 4154/4885CA1 1384/4885MEN1 3839/4885
US-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors GRIN1, GRIN3A, GRIK5 CA2 3445/4885CA1 1383/4885MEN1 4720/4885

“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.