Sugi Predict

Sugi Predict / Compounds / SCHEMBL3920862

SCHEMBL3920862

SCHEMBL3920862

NS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)C=C(c1c(O)c3cc(F)ccc3n(Cc3ccc(F)cc3)c1=O)N2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 3/20 0.39
▸ NR1I2 O75469 1/20 0.39
▸ HDAC1 Q13547 4/20 0.35
▸ HDAC6 Q9UBN7 4/20 0.35
▸ HDAC8 Q9BY41 2/20 0.35
▸ PARG Q86W56 4/20 0.34
▸ PLK1 P53350 1/20 0.33
▸ PTGDR2 Q9Y5Y4 2/20 0.33
▸ KMT2A Q03164 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ SERPINE1 P05121 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ HDAC3 O15379 1/20 0.31
▸ HDAC4 P56524 1/20 0.31
▸ HDAC7 Q8WUI4 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31

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
SCHEMBL3929676 0.92 CYP2C9 (0.39) CYP2C9NR1I2HDAC1HDAC6HDAC8
SCHEMBL4068112 0.91 CYP2C9 (0.39) CYP2C9NR1I2HDAC1HDAC6HDAC8
SCHEMBL4069350 0.90 CYP2C9 (0.38) CYP2C9NR1I2HDAC1HDAC6HDAC8
SCHEMBL4073002 0.89 CYP2C9 (0.42) CYP2C9NR1I2HDAC1HDAC6HDAC8
SCHEMBL4075666 0.89 CYP2C9 (0.37) CYP2C9NR1I2HDAC1HDAC6HDAC8
SCHEMBL4066606 0.89 CYP2C9 (0.39) CYP2C9NR1I2HDAC1HDAC6HDAC8
SCHEMBL3922950 0.89 CYP2C9 (0.40) CYP2C9NR1I2HDAC1HDAC6HDAC8
SCHEMBL4068258 0.88 CYP2C9 (0.37) CYP2C9NR1I2HDAC1HDAC6HDAC8
SCHEMBL3922961 0.87 ERCC5 (0.36) CYP2C9NR1I2PARGPTGDR2KMT2A
SCHEMBL3930411 0.87 PTGDR2 (0.36) CYP2C9NR1I2PARGPTGDR2KMT2A

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
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
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 239/4885HDAC1 314/4885

“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.