SCHEMBL5337137

SCHEMBL5337137

CCOC(=O)COc1ccc2cc(-c3sc4ccccc4c3C(=O)Cc3ccccc3)ccc2c1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 2/20 0.41
PRNP P04156 4/20 0.41
RXFP1 Q9HBX9 3/20 0.41
PTPN1 P18031 4/20 0.39
ABCB1 P08183 1/20 0.38
CASP3 P42574 1/20 0.38
CASP7 P55210 1/20 0.38
CASP9 P55211 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 3/20 0.36
LMNA P02545 2/20 0.36
KDR P35968 1/20 0.36
MITF O75030 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL5343854 0.90 PTPN1 (0.47) PRNPRXFP1PTPN1ALDH1A1HPGD
SCHEMBL5340347 0.88 F9 (0.41) F9PRNPRXFP1PTPN1CASP3
SCHEMBL5341879 0.88 F9 (0.41) F9PRNPRXFP1PTPN1CASP3
SCHEMBL5337145 0.86 F9 (0.44) F9PRNPRXFP1PTPN1CASP3
SCHEMBL5335292 0.84 PTPN1 (0.36) PRNPRXFP1PTPN1ALDH1A1HPGD
SCHEMBL5344423 0.80 PTPN1 (0.48) PRNPRXFP1PTPN1ALDH1A1HPGD
SCHEMBL5338631 0.79 PTPN1 (0.46) PRNPRXFP1PTPN1CASP7ALDH1A1
SCHEMBL5335829 0.79 PTPN1 (0.34) PRNPRXFP1PTPN1ALDH1A1HPGD
SCHEMBL5344186 0.78 F9 (0.41) F9ABCB1CASP3CASP7CASP9
SCHEMBL5337091 0.78 RXFP1 (0.46) F9PRNPRXFP1PTPN1CASP3

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 F9 4698/4885PRNP 2935/4885RXFP1 4872/4885

“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.