SCHEMBL7952809

SCHEMBL7952809

COC(CN(Cc1cc(C)c(F)c(F)c1)S(=O)(=O)c1ccc(C)cc1)OC

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.42
TAS2R14 Q9NYV8 3/20 0.42
CNR1 P21554 2/20 0.42
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
RECQL P46063 1/20 0.40
BACE1 P56817 1/20 0.39
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
PTPN1 P18031 1/20 0.38

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
SCHEMBL1705734 0.95 CNR2 (0.44) CNR2TAS2R14CNR1LMNATSHR
SCHEMBL30701971 0.87 CNR2 (0.46) CNR2TAS2R14CNR1LMNATSHR
SCHEMBL27192066 0.87 CNR2 (0.46) CNR2TAS2R14CNR1LMNATSHR
SCHEMBL30609120 0.84 CNR2 (0.43) CNR2TAS2R14CNR1LMNATSHR
SCHEMBL12205672 0.84 CNR2 (0.56) CNR2TAS2R14CNR1BACE1MAPT
SCHEMBL1705206 0.83 CNR2 (0.60) CNR2TAS2R14CNR1LMNATSHR
SCHEMBL1411474 0.82 CNR2 (0.50) CNR2TAS2R14CNR1LMNATSHR
SCHEMBL30701970 0.82 CNR2 (0.50) CNR2TAS2R14CNR1LMNATSHR
SCHEMBL29407317 0.82 CNR2 (0.43) CNR2TAS2R14CNR1LMNATSHR
SCHEMBL1571343 0.82 CNR2 (0.43) CNR2TAS2R14CNR1LMNATSHR

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-8541449-B2 Substituted isoquinolines and isoquinolinones as Rho kinase inhibitors SANOFI (FR) 2013-09-24 US disclosed
US-8541449-B2 Substituted isoquinolines and isoquinolinones as Rho kinase inhibitors SANOFI (FR) 2013-09-24 US disclosed
EP-2313374-B1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES SANOFI SA (FR) 2013-09-18 EP disclosed
US-20130109715-A1 6-Substituted isoquinolines and isoquinolinones SANOFI (FR) 2013-05-02 US disclosed
US-20130109715-A1 6-Substituted isoquinolines and isoquinolinones SANOFI (FR) 2013-05-02 US disclosed
US-8399482-B2 6-substituted isoquinolines and isoquinolinones SANOFI (FR) 2013-03-19 US disclosed
US-8399482-B2 6-substituted isoquinolines and isoquinolinones SANOFI (FR) 2013-03-19 US disclosed
US-20110190339-A1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES SANOFI-AVENTIS (FR) 2011-08-04 US disclosed
US-20110190339-A1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES SANOFI-AVENTIS (FR) 2011-08-04 US disclosed
US-20110190341-A1 SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES AS RHO KINASE INHIBITORS SANOFI-AVENTIS (FR) 2011-08-04 US disclosed
US-20110190341-A1 SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES AS RHO KINASE INHIBITORS SANOFI-AVENTIS (FR) 2011-08-04 US disclosed
WO-2009156100-A1 SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES AS RHO KINASE INHIBITORS SANOFI-AVENTIS (FR) 2009-12-30 WO disclosed
WO-2009156099-A1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES SANOFI-AVENTIS (FR) 2009-12-30 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-20110190341-A1 SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES AS RHO KINASE INHIBITORS ROCK1, MYLK, ROCK2 CNR2 4689/4885TAS2R14 4862/4885CNR1 4561/4885
US-20110190339-A1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES MYLK2, MYLK, MYLK3 CNR2 4535/4885TAS2R14 4848/4885CNR1 4413/4885
US-20130109715-A1 6-Substituted isoquinolines and isoquinolinones MYLK2, MYLK, MYLK3 CNR2 4751/4885TAS2R14 4652/4885CNR1 4618/4885

“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.