SCHEMBL3973820

SCHEMBL3973820

CCCCc1oc2ccccc2c1C(=O)N(C)Cc1ccc(-c2ccc(OCC#N)c(Br)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.46
PTPN1 P18031 7/20 0.43
SIRT3 Q9NTG7 5/20 0.42
NR1H4 Q96RI1 1/20 0.42
SMPD1 P17405 1/20 0.42
EYA3 Q99504 2/20 0.41
THRA P10827 2/20 0.40
THRB P10828 2/20 0.40
MLNR O43193 1/20 0.40
CACNA1F O60840 1/20 0.40
PHF2 O75151 1/20 0.40
ABCB11 O95342 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NR3C1 P04150 1/20 0.40
ERBB2 P04626 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
FYN P06241 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40

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
SCHEMBL3975316 0.91 TTR (0.45) TTRPTPN1SIRT3NR1H4SMPD1
SCHEMBL3973444 0.89 PTPN1 (0.53) TTRPTPN1SIRT3NR1H4SMPD1
SCHEMBL3974141 0.88 TTR (0.50) TTRPTPN1SIRT3NR1H4SMPD1
SCHEMBL5983631 0.85 TTR (0.47) TTRPTPN1SIRT3NR1H4SMPD1
SCHEMBL3978173 0.85 TTR (0.42) TTRPTPN1SIRT3NR1H4SMPD1
SCHEMBL3978636 0.84 PTPN1 (0.47) TTRPTPN1NR1H4EYA3
SCHEMBL3975373 0.84 TTR (0.55) TTRPTPN1SIRT3NR1H4EYA3
SCHEMBL3978232 0.82 PTPN1 (0.61) TTRPTPN1
SCHEMBL3973999 0.82 PTPN1 (0.46) TTRPTPN1SIRT3NR1H4EYA3
SCHEMBL3971675 0.80 PTPN1 (0.53) TTRPTPN1NR1H4HTT

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-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 TTR 2868/4885PTPN1 1495/4885SIRT3 2700/4885

“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.