SCHEMBL4958868

SCHEMBL4958868

CC(C)(C)OC(=O)n1cccc1-c1ccc(OCc2ccccc2)c(N2CC(=O)NS2(=O)=O)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.49
TNK2 Q07912 1/20 0.36
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
TLR9 Q9NR96 2/20 0.34
TLR7 Q9NYK1 2/20 0.34
PTGER1 P34995 1/20 0.34
SNRNP200 O75643 1/20 0.34
HTR1A P08908 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
PRMT5 O14744 1/20 0.33
ATR Q13535 1/20 0.33
GRIA1 P42261 1/20 0.32
BCHE P06276 1/20 0.32
CNR2 P34972 1/20 0.32
NEK2 P51955 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
SCHEMBL4646595 0.90 PTPN1 (0.53) PTPN1PTGER1SNRNP200HTR1ASLC6A2
SCHEMBL4644970 0.83 PTPN1 (0.53) PTPN1TNK2HSP90AA1HSP90AB1ATR
SCHEMBL4646708 0.78 PTPN1 (0.60) PTPN1PTGER1
SCHEMBL4643501 0.78 PTPN1 (0.62) PTPN1SNRNP200HTR1ASLC6A2SLC6A4
SCHEMBL4646366 0.75 PTPN1 (0.61) PTPN1SNRNP200HTR1ASLC6A2SLC6A4
SCHEMBL4648546 0.74 PTPN1 (0.57) PTPN1HSP90AB1SNRNP200HTR1ASLC6A2
SCHEMBL4646906 0.74 PTPN1 (0.53) PTPN1SNRNP200HTR1ASLC6A2SLC6A4
SCHEMBL4643306 0.74 PTPN1 (0.53) PTPN1PTGER1SLC6A4
SCHEMBL4957526 0.73 PTPN1 (0.52) PTPN1
SCHEMBL3926990 0.73 KDM4E (0.43) PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293782-A1 1,1,3-Trioxo-1,2,5-Thiadiazolidines and Their Use as Ptp-Ases Inhibitors NOVARTIS AG (CH) 2008-11-27 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-20080293782-A1 1,1,3-Trioxo-1,2,5-Thiadiazolidines and Their Use as Ptp-Ases Inhibitors PTPRS, IRS1, PTPMT1 PTPN1 10/4885TNK2 465/4885HSP90AA1 2152/4885

“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.