SCHEMBL1810122

SCHEMBL1810122

O=c1[nH]n(Cc2ccccc2)c2cc(F)c(NS(=O)(=O)c3ccc(F)cc3F)cc12

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.44
KDM4E B2RXH2 1/20 0.43
CCR2 P41597 6/20 0.43
ACLY P53396 1/20 0.39
PI4KA P42356 1/20 0.39
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PIK3R1 P27986 1/20 0.38
PIK3CA P42336 1/20 0.38
MGAT2 Q10469 2/20 0.38
NR1I2 O75469 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
SCHEMBL1810508 0.87 NR1I2 (0.48) BRD4KDM4ECCR2NR1I2
SCHEMBL3906066 0.86 ACLY (0.43) BRD4CCR2ACLY
SCHEMBL3902067 0.86 ACLY (0.53) BRD4CCR2ACLYNR1I2
SCHEMBL3906639 0.84 ACLY (0.54) BRD4ACLY
SCHEMBL3906452 0.84 ACLY (0.54) BRD4CCR2ACLY
SCHEMBL1812324 0.84 CCR2 (0.41) BRD4CCR2ACLYNR1I2
SCHEMBL1811874 0.82 DAO (0.38) ACLY
SCHEMBL1810258 0.81 ACLY (0.43) ACLY
SCHEMBL4361093 0.80 DAO (0.36) BRD4ACLY
SCHEMBL3906458 0.79 ACLY (0.47) CCR2ACLYTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4682207-B2 2011-05-11 JP claimed
US-7528158-B2 Indazolone derivatives useful as 11b-HSD1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2009-05-05 US claimed
EP-1797042-B1 INDOZOLONE DERIVATIVES AS 11B-HSD1 INHIBITORS HOFFMANN LA ROCHE (CH) 2009-01-07 EP claimed
EP-1797042-A1 INDOZOLONE DERIVATIVES AS 11B-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-06-20 EP claimed
WO-2006034804-A1 INDOZOLONE DERIVATIVES AS 11B-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2006-04-06 WO claimed
US-20060069269-A1 Novel indazolone derivatives useful as 11b-HSD1 inhibitors F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2006-03-30 US claimed
US-7528158-B2 Indazolone derivatives useful as 11b-HSD1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2009-05-05 US disclosed
EP-1797042-B1 INDOZOLONE DERIVATIVES AS 11B-HSD1 INHIBITORS HOFFMANN LA ROCHE (CH) 2009-01-07 EP disclosed
EP-1797042-A1 INDOZOLONE DERIVATIVES AS 11B-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-06-20 EP disclosed
WO-2006034804-A1 INDOZOLONE DERIVATIVES AS 11B-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2006-04-06 WO disclosed
US-20060069269-A1 Novel indazolone derivatives useful as 11b-HSD1 inhibitors F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2006-03-30 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-20060069269-A1 Novel indazolone derivatives useful as 11b-HSD1 inhibitors HSD17B1, HSD11B1, HSD17B7 BRD4 2606/4885KDM4E 2229/4885CCR2 3797/4885

“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.