SCHEMBL3971361

SCHEMBL3971361

CCCCc1oc2ccccc2c1C(=O)NCc1ccc(-c2ccc(OCC(=O)O)c(Br)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.54
THRA P10827 1/20 0.51
THRB P10828 1/20 0.51
TTR P02766 1/20 0.48
SIRT3 Q9NTG7 6/20 0.46
NR1H4 Q96RI1 1/20 0.45
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
EYA3 Q99504 2/20 0.42

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
SCHEMBL3973525 0.87 PTPN1 (0.48) PTPN1TTRSIRT3NR1H4EYA3
SCHEMBL3973444 0.86 PTPN1 (0.53) PTPN1THRATHRBTTRSIRT3
SCHEMBL4670488 0.84 PTPN1 (0.73) PTPN1THRATHRBTTRSIRT3
SCHEMBL4675571 0.82 PTPN1 (0.59) PTPN1THRATHRBSIRT3NR1H4
SCHEMBL4670720 0.80 PTPN1 (0.58) PTPN1THRATHRBSIRT3NR1H4
SCHEMBL4670211 0.77 PTPN1 (0.63) PTPN1THRATHRBTTRSIRT3
SCHEMBL5987315 0.77 PTPN1 (0.59) PTPN1TTRSIRT3
SCHEMBL3973756 0.76 TTR (0.49) PTPN1THRATHRBTTRSIRT3
SCHEMBL3975316 0.76 TTR (0.45) PTPN1THRATHRBTTRSIRT3
SCHEMBL3974141 0.75 TTR (0.50) PTPN1TTRSIRT3NR1H4EYA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7534894-B2 Biphenyloxy-acids WYETH (US) 2009-05-19 US claimed
US-20060020003-A1 Biphenyloxy-acids WYETH (US) 2006-01-26 US claimed
US-7534894-B2 Biphenyloxy-acids WYETH (US) 2009-05-19 US disclosed
EP-1667959-A1 BIPHENYLOXY-ACIDS Wyeth (US) 2006-06-14 EP disclosed
US-20060020003-A1 Biphenyloxy-acids WYETH (US) 2006-01-26 US disclosed
WO-2005030702-A1 BIPHENYLOXY-ACIDS WYETH (US) 2005-04-07 WO 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-20060020003-A1 Biphenyloxy-acids AHR, ARNT, NR1H4 PTPN1 1495/4885THRA 788/4885THRB 472/4885

“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.