SCHEMBL5340323

SCHEMBL5340323

CCOC(=O)COc1ccc2cc(-c3cc4ccc(C(=O)CCC(C)(C)C)cc4s3)ccc2c1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.37
PTPN1 P18031 1/20 0.37
F9 P00740 2/20 0.35
RXFP1 Q9HBX9 3/20 0.35
PRNP P04156 2/20 0.35
F10 P00742 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
ESR1 P03372 2/20 0.33
LMNA P02545 2/20 0.33
STING1 Q86WV6 2/20 0.33
ERN1 O75460 1/20 0.33
ALDH1A1 P00352 2/20 0.32
GAA P10253 2/20 0.32
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 1/20 0.32
ESR2 Q92731 1/20 0.32
PTGDR2 Q9Y5Y4 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
SCHEMBL5343019 0.90 PTPN1 (0.44) HDAC6PTPN1RXFP1PRNPHDAC3
SCHEMBL5337091 0.83 RXFP1 (0.46) PTPN1F9RXFP1PRNPF10
SCHEMBL5808917 0.83 HDAC6 (0.39) HDAC6PTPN1HDAC3HDAC1HDAC2
SCHEMBL5809067 0.82 HDAC6 (0.39) HDAC6PTPN1HDAC3HDAC1HDAC2
SCHEMBL5340347 0.73 F9 (0.41) PTPN1F9RXFP1PRNPF10
SCHEMBL5338896 0.72 F9 (0.45) F9F10ESR1LMNAERN1
SCHEMBL5335756 0.71 RXFP1 (0.56) RXFP1PRNPLMNAALDH1A1KDM4E
SCHEMBL5341879 0.70 F9 (0.41) PTPN1F9RXFP1PRNPF10
SCHEMBL6579998 0.69 KDM4E (0.44) PTPN1RXFP1PRNPLMNAALDH1A1
SCHEMBL5337137 0.68 F9 (0.41) PTPN1F9RXFP1PRNPF10

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-7163954-B2 Substituted naphthyl benzothiophene acids WYETH (US) 2007-01-16 US disclosed
EP-1664015-A1 SUBSTITUTED NAPHTHYL BENZOTHIOPHENE ACIDS Wyeth (US) 2006-06-07 EP disclosed
WO-2005030750-A1 SUBSTITUTED NAPHTHYL BENZOTHIOPHENE ACIDS WYETH (US) 2005-04-07 WO disclosed
US-20050070587-A1 Substituted naphthyl benzothiophene acids WYETH (US) 2005-03-31 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-20050070587-A1 Substituted naphthyl benzothiophene acids TST, GNPAT, NUDT1 HDAC6 963/4885PTPN1 1717/4885F9 4698/4885

“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.