SCHEMBL5445367

SCHEMBL5445367

Cn1cc([S+]([O-])CF)c(=O)c2ccc(F)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
DRD2 P14416 1/20 0.39
SLC6A4 P31645 1/20 0.39
GSK3B P49841 5/20 0.38
PRKCA P17252 1/20 0.38
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CNR2 P34972 3/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CDK2 P24941 3/20 0.34
SCN9A Q15858 1/20 0.33
MAPT P10636 1/20 0.32
CNR1 P21554 1/20 0.32
CCNE2 O96020 1/20 0.32
CDK4 P11802 1/20 0.32
PRKACA P17612 1/20 0.32
PRKACG P22612 1/20 0.32

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
SCHEMBL5868380 0.88 ATM (0.43) ATMDRD2SLC6A4GSK3BPRKCA
SCHEMBL5864364 0.88 ATM (0.43) ATMDRD2SLC6A4GSK3BPRKCA
SCHEMBL5868247 0.88 ATM (0.43) ATMDRD2SLC6A4GSK3BPRKCA
SCHEMBL5868298 0.85 ATM (0.40) ATMDRD2SLC6A4GSK3BPRKCA
Flosequinan SCHEMBL5441172 0.85 ATM (0.47) ATMDRD2SLC6A4GSK3BPRKCA
Flosequinan SCHEMBL122877 0.85 ATM (0.47) ATMDRD2SLC6A4GSK3BPRKCA
Flosequinan SCHEMBL5442796 0.85 ATM (0.47) ATMDRD2SLC6A4GSK3BPRKCA
Flosequinan SCHEMBL6535622 0.83 ATM (0.46) ATMDRD2SLC6A4GSK3BPRKCA
SCHEMBL5438058 0.81 ATM (0.43) ATMDRD2SLC6A4GSK3BPRKCA
SCHEMBL5864473 0.80 ATM (0.43) ATMDRD2SLC6A4GSK3BPRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070010552-A1 Fluorinated heterocyclic compounds and methods of synthesis R.T. ALAMO VENTURES I, LLC 2007-01-11 US claimed
US-20050032833-A1 Fluorinated heterocyclic compounds and methods of synthesis R.T. ALAMO VENTURES I, LLC (US) 2005-02-10 US claimed
US-6767914-B2 REACTING 7-FLUORO-3-FLUOROMETHYLTHIO-1-METHYL-4-QUINOLONE AND M-CHLOROPERBENZOIC ACID TO PRODUCE 7-FLUORO-3-FLUOROMETHYLSULFINYL-1-METHYL-4-QUINOLONE R.T. ALAMO VENTURES I, LLC 2004-07-27 US claimed
US-20030166679-A1 Fluorinated heterocyclic compounds and methods of synthesis R.T. ALAMO VENTURES I, LLC 2003-09-04 US claimed
US-20070010552-A1 Fluorinated heterocyclic compounds and methods of synthesis R.T. ALAMO VENTURES I, LLC 2007-01-11 US disclosed
US-20070010552-A1 Fluorinated heterocyclic compounds and methods of synthesis R.T. ALAMO VENTURES I, LLC 2007-01-11 US disclosed
US-20070010552-A1 Fluorinated heterocyclic compounds and methods of synthesis R.T. ALAMO VENTURES I, LLC 2007-01-11 US disclosed
US-7041677-B2 Use of monochloroflosequinan in the treatment of sexual dysfunction R.T. ALAMO VENTURES I, LLC (US) 2006-05-09 US disclosed
US-7034040-B2 Fluorinated heterocyclic compounds and methods of synthesis R.T. ALAMO VENTURES I (US) 2006-04-25 US disclosed
US-20050032833-A1 Fluorinated heterocyclic compounds and methods of synthesis R.T. ALAMO VENTURES I, LLC (US) 2005-02-10 US disclosed
US-6767914-B2 REACTING 7-FLUORO-3-FLUOROMETHYLTHIO-1-METHYL-4-QUINOLONE AND M-CHLOROPERBENZOIC ACID TO PRODUCE 7-FLUORO-3-FLUOROMETHYLSULFINYL-1-METHYL-4-QUINOLONE R.T. ALAMO VENTURES I, LLC 2004-07-27 US disclosed
US-20030191152-A1 Use of halogenated heterocyclic compounds in the treatment of sexual dysfunction and cardiovascular disease R.T. ALAMO VENTURES I, LLC 2003-10-09 US disclosed
US-20030166679-A1 Fluorinated heterocyclic compounds and methods of synthesis R.T. ALAMO VENTURES I, LLC 2003-09-04 US 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 (4 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-20030191152-A1 Use of halogenated heterocyclic compounds in the treatment of sexual dysfunction and cardiovascular disease SHBG, CYP19A1, FLOT1 ATM 2698/4885DRD2 27/4885SLC6A4 397/4885
US-20030166679-A1 Fluorinated heterocyclic compounds and methods of synthesis FDPS, PFAS, AFF4 ATM 3766/4885DRD2 1750/4885SLC6A4 2417/4885
US-20050032833-A1 Fluorinated heterocyclic compounds and methods of synthesis FDPS, PFAS, AFF4 ATM 3766/4885DRD2 1750/4885SLC6A4 2417/4885
US-20070010552-A1 Fluorinated heterocyclic compounds and methods of synthesis FDPS, PFAS, AFF4 ATM 3766/4885DRD2 1750/4885SLC6A4 2417/4885

“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.