SCHEMBL5338631

SCHEMBL5338631

CC(C)(C)CC(=O)c1c(-c2ccc3c(Br)c(OCC(=O)O)ccc3c2)sc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 10/20 0.46
PRNP P04156 2/20 0.41
RXFP1 Q9HBX9 2/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTPRC P08575 1/20 0.38
PTPRF P10586 1/20 0.38
PTPRA P18433 1/20 0.38
PTPRB P23467 1/20 0.38
PTPN6 P29350 1/20 0.38
DUSP3 P51452 1/20 0.38
PTPN12 Q05209 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
PPARD Q03181 1/20 0.37
MIF P14174 1/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL5340347 0.90 F9 (0.41) PTPN1PRNPRXFP1LMNAALDH1A1
SCHEMBL5343854 0.87 PTPN1 (0.47) PTPN1PRNPRXFP1ALDH1A1HPGD
SCHEMBL5344423 0.87 PTPN1 (0.48) PTPN1PRNPRXFP1LMNAALDH1A1
SCHEMBL5343856 0.85 PTPN1 (0.45) PTPN1PRNPRXFP1LMNAALDH1A1
SCHEMBL6581762 0.81 PTPN1 (0.51) PTPN1PRNPRXFP1LMNAALDH1A1
SCHEMBL5337137 0.79 F9 (0.41) PTPN1PRNPRXFP1LMNAALDH1A1
SCHEMBL5341879 0.78 F9 (0.41) PTPN1PRNPRXFP1LMNAALDH1A1
SCHEMBL5335938 0.76 PTPN1 (0.42) PTPN1CNR1CNR2PPARDMAPT
SCHEMBL5335292 0.76 PTPN1 (0.36) PTPN1PRNPRXFP1ALDH1A1HPGD
SCHEMBL5340436 0.76 CNR1 (0.36) PTPN1PRNPRXFP1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7163954-B2 Substituted naphthyl benzothiophene acids WYETH (US) 2007-01-16 US claimed
EP-1664015-A1 SUBSTITUTED NAPHTHYL BENZOTHIOPHENE ACIDS Wyeth (US) 2006-06-07 EP claimed
WO-2005030750-A1 SUBSTITUTED NAPHTHYL BENZOTHIOPHENE ACIDS WYETH (US) 2005-04-07 WO claimed
US-20050070587-A1 Substituted naphthyl benzothiophene acids WYETH (US) 2005-03-31 US claimed
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 PTPN1 1717/4885PRNP 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.