SCHEMBL2889529

SCHEMBL2889529

CCOC(=O)CCc1cccc(-c2ccc3cc(OCc4ccccc4)c(N4CC(=O)NS4(=O)=O)c(F)c3c2)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.42
PTPN2 P17706 6/20 0.42
SYK P43405 5/20 0.38
FFAR1 O14842 2/20 0.34
PPARD Q03181 2/20 0.34
FFAR4 Q5NUL3 1/20 0.33
AKR1C3 P42330 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PPARG P37231 1/20 0.32
PPARA Q07869 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
SCHEMBL2894787 0.91 PTPN1 (0.43) PTPN1PTPN2FFAR1FFAR4
SCHEMBL2897003 0.89 PTPN1 (0.44) PTPN1PTPN2SMN1; SMN2
SCHEMBL2889272 0.88 PTPN2 (0.56) PTPN1PTPN2SYK
SCHEMBL2892378 0.85 PTPN1 (0.45) PTPN1PTPN2
SCHEMBL22412755 0.80 PTPN1 (0.53) PTPN1PTPN2
SCHEMBL30026035 0.80 PTPN1 (0.53) PTPN1PTPN2
SCHEMBL31277020 0.80 PTPN1 (0.48) PTPN1PTPN2
SCHEMBL23539818 0.79 PTPN1 (0.43) PTPN1PTPN2
SCHEMBL22412173 0.78 PTPN1 (0.66) PTPN1PTPN2
SCHEMBL2896986 0.78 PTPN1 (0.63) PTPN1PTPN2

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 2 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

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 PTPN1 11/4885PTPN2 5/4885SYK 122/4885

“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.