SCHEMBL3923920

SCHEMBL3923920

CN(c1ccc2c(c1)S(=O)(=O)C=C(c1c(O)c3cc(F)ccc3n(Cc3ccc(F)cc3)c1=O)N2)S(C)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.37
NR1I2 O75469 1/20 0.37
CRY1 Q16526 11/20 0.37
CRY2 Q49AN0 11/20 0.37
PER2 O15055 10/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.34
PARG Q86W56 2/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL3922170 0.86 CYP2C9 (0.54) CYP2C9NR1I2CRY1CRY2PER2
SCHEMBL3917989 0.85 CYP2C9 (0.42) CYP2C9NR1I2PTGDR2PARGHDAC1
SCHEMBL3929676 0.85 CYP2C9 (0.39) CYP2C9NR1I2CRY1CRY2PER2
SCHEMBL3929284 0.83 CYP2C9 (0.41) CYP2C9NR1I2PTGDR2HDAC1HDAC8
SCHEMBL3922130 0.83 PIK3R1 (0.44) CYP2C9NR1I2HDAC1HDAC8HDAC6
SCHEMBL3922914 0.83 CYP2C9 (0.39) CYP2C9NR1I2CRY1CRY2PER2
SCHEMBL4068112 0.83 CYP2C9 (0.39) CYP2C9NR1I2PTGDR2PARGHDAC1
SCHEMBL3920019 0.82 CYP2C9 (0.50) CYP2C9NR1I2PER2PTGDR2HDAC1
SCHEMBL3920862 0.82 CYP2C9 (0.39) CYP2C9NR1I2PTGDR2PARGHDAC1
SCHEMBL4069350 0.81 CYP2C9 (0.38) CYP2C9NR1I2PTGDR2PARGHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1786807-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2009-07-29 EP claimed
US-7479489-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2009-01-20 US claimed
EP-1786807-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2007-05-23 EP claimed
WO-2006021340-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2006-03-02 WO claimed
US-20060040927-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2006-02-23 US claimed
EP-1786807-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2009-07-29 EP disclosed
US-7479489-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2009-01-20 US disclosed
EP-1786807-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2007-05-23 EP disclosed
WO-2006021340-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2006-03-02 WO disclosed
US-20060040927-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2006-02-23 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 (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-20060040927-A1 Heterocyclic antiviral compounds HAVCR2, POLR1A, HCCS CYP2C9 366/4885NR1I2 239/4885CRY1 2926/4885

“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.