SCHEMBL2889547

SCHEMBL2889547

CC(C)(C)OC(=O)Nc1c(OCc2ccccc2)ccc(Br)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.47
PTGER1 P34995 1/20 0.47
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
BRD4 O60885 2/20 0.41
LRRK2 Q5S007 2/20 0.41
AAK1 Q2M2I8 1/20 0.41
AKT1 P31749 1/20 0.40
LMNA P02545 2/20 0.40
USP2 O75604 1/20 0.40
SMPD1 P17405 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
NPC1 O15118 2/20 0.39
SYK P43405 1/20 0.39
CCR5 P51681 1/20 0.39
PPARA Q07869 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL2894833 0.82 NPC1 (0.50) CYP2C9PTGER1TDP1L3MBTL1BRD4
SCHEMBL29073090 0.80 CYP2C9 (0.42) CYP2C9PTGER1BRD4AAK1AKT1
SCHEMBL29493794 0.80 CYP2C9 (0.42) CYP2C9PTGER1BRD4AAK1AKT1
SCHEMBL6230397 0.80 CYP2C9 (0.43) CYP2C9PTGER1L3MBTL1BRD4AKT1
SCHEMBL31088840 0.77 PTGER1 (0.49) CYP2C9PTGER1BRD4LRRK2AAK1
SCHEMBL2895949 0.77 SMPD1 (0.44) TDP1L3MBTL1BRD4LRRK2LMNA
SCHEMBL6523050 0.76 ATR (0.40) AAK1LMNANPC1SYKMEN1
SCHEMBL4399030 0.76 LMNA (0.49) CYP2C9PTGER1L3MBTL1LMNAHDAC1
SCHEMBL27745074 0.76 ALDH1A1 (0.44) CYP2C9TDP1L3MBTL1BRD4LRRK2
SCHEMBL3000336 0.76 PTGER1 (0.44) CYP2C9PTGER1TDP1L3MBTL1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252820-B2 1-orthofluorophenyl substituted 1,2,5-thiazolidinedione derivatives as PTP-as inhibitors NOVARTIS AG (CH) 2012-08-28 US disclosed
US-20100035942-A1 1-orthofluorophenyl substituted 1,2,5-thiazolidinedione derivatives as ptp-as inhibitors NOVARTIS AG (CH) 2010-02-11 US disclosed
EP-1963293-A1 1-ORTHOFLUOROPHENYL SUBSTITUTED 1, 2 , 5-THIAZOLIDINEDIONE DERIVATIVES AS PTP-AS INHIBITORS Novartis AG (CH) 2008-09-03 EP disclosed
WO-2007067612-A1 1-ORTHOFLUOROPHENYL SUBSTITUTED 1, 2, 5-THIAZOLIDINEDIONE DERIVATIVES AS PTP-AS INHIBITORS NOVARTIS AG (CH) 2007-06-14 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 (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-20100035942-A1 1-orthofluorophenyl substituted 1,2,5-thiazolidinedione derivatives as ptp-as inhibitors PTPRS, PTPRF, PTPRO CYP2C9 3656/4885PTGER1 760/4885TDP1 926/4885

“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.