SCHEMBL3922147

SCHEMBL3922147

CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)C=C(c1c(O)c3cc(F)ccc3n(CC3CCCCC3)c1=O)N2

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.43
NR1I2 O75469 1/20 0.43
MAPK9 P45984 1/20 0.38
CNR1 P21554 2/20 0.35
CNR2 P34972 1/20 0.35
RORA P35398 1/20 0.34
RORC P51449 1/20 0.34
RORB Q92753 1/20 0.34
CRY1 Q16526 7/20 0.34
CRY2 Q49AN0 7/20 0.34
PER2 O15055 4/20 0.34
PARG Q86W56 3/20 0.34
PLK1 P53350 1/20 0.33
NPC1 O15118 1/20 0.32
EGLN1 Q9GZT9 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
SCHEMBL3921871 0.90 CYP2C9 (0.55) CYP2C9NR1I2CNR1CNR2RORC
SCHEMBL3929676 0.86 CYP2C9 (0.39) CYP2C9NR1I2CRY1CRY2PER2
SCHEMBL13938260 0.84 CYP2C9 (0.38) CYP2C9NR1I2
SCHEMBL3920828 0.84 CYP2C9 (0.42) CYP2C9NR1I2CRY1CRY2PER2
SCHEMBL3929715 0.84 CYP2C9 (0.38) CYP2C9NR1I2CRY1CRY2PER2
SCHEMBL3920010 0.83 CYP2C9 (0.39) CYP2C9NR1I2CRY1CRY2PER2
SCHEMBL3921467 0.83 CYP2C9 (0.37) CYP2C9NR1I2CRY1CRY2PER2
SCHEMBL4065119 0.83 CYP2C9 (0.54) CYP2C9NR1I2CNR1CNR2CRY1
SCHEMBL3921480 0.82 CYP2C9 (0.55) CYP2C9NR1I2CRY1CRY2PARG
SCHEMBL3932931 0.82 CYP2C9 (0.37) CYP2C9NR1I2PARG

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 8 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
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 239/4885MAPK9 2412/4885

“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.