SCHEMBL6727209

SCHEMBL6727209

O=C(CCC(COCC(CCOCC(CCOCC(CCOCC(COCC(CCC(=O)CCN1C(=O)C=CC1=O)CC(=O)CCN1C(=O)C=CC1=O)CC(=O)CCN1C(=O)C=CC1=O)CC(=O)CCN1C(=O)C=CC1=O)CC(=O)CCN1C(=O)C=CC1=O)CC(=O)CCN1C(=O)C=CC1=O)CC(=O)CCN1C(=O)C=CC1=O)CCN1C(=O)C=CC1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.37
PTGS1 P23219 4/20 0.33
PTGS2 P35354 4/20 0.33
FAAH O00519 2/20 0.31
HSP90AA1 P07900 1/20 0.30
TLR9 Q9NR96 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
HPGD P15428 1/20 0.30
XBP1 P17861 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
RECQL P46063 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
GPR35 Q9HC97 1/20 0.30

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
SCHEMBL12852245 0.95 MGLL (0.38) MGLLPTGS1PTGS2FAAHHSP90AA1
SCHEMBL6727205 0.83 PTGS1 (0.42) MGLLPTGS1PTGS2FAAHHSP90AA1
SCHEMBL16405262 0.70 MGLL (0.54) MGLLPTGS1PTGS2FAAHHSP90AA1
SCHEMBL29044909 0.70 MGLL (0.54) MGLLPTGS1PTGS2FAAHHSP90AA1
SCHEMBL10052093 0.68 MGLL (0.37) MGLLPTGS1PTGS2ALDH1A1LMNA
SCHEMBL6727206 0.68 MGLL (0.33) MGLLPTGS1PTGS2FAAH
SCHEMBL23870259 0.68 PTGS1 (0.44) MGLLPTGS1PTGS2FAAHHSP90AA1
SCHEMBL16405264 0.65 PTGS1 (0.63) MGLLPTGS1PTGS2FAAHHSP90AA1
SCHEMBL17570363 0.65 PTGS1 (0.48) MGLLPTGS1PTGS2FAAHHSP90AA1
SCHEMBL12629199 0.65 MGLL (0.62) MGLLPTGS1PTGS2FAAHHSP90AA1

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-9636418-B2 Potent and selective inhibitors of NAV1.7 AMGEN INC. (US) 2017-05-02 US disclosed
US-20160304570-A1 POTENT AND SELECTIVE INHIBITORS OF NAV1.3 AND NAV1.7 AMGEN INC. (US) 2016-10-20 US disclosed
US-9340590-B2 Potent and selective inhibitors of NaV1.3 and NaV1.7 AMGEN INC. (US) 2016-05-17 US disclosed
US-20160024159-A1 POTENT AND SELECTIVE INHIBITORS OF NAV1.7 AMGEN INC. (US) 2016-01-28 US disclosed
US-20150023988-A1 POTENT AND SELECTIVE INHIBITORS OF NAV1.7 AMGEN INC. (US) 2015-01-22 US disclosed
US-20140073577-A1 POTENT AND SELECTIVE INHIBITORS OF NAV1.3 AND NAV1.7 AMGEN INC. (US) 2014-03-13 US disclosed
US-20130217625-A1 COMPOSITIONS AND METHODS FOR PRODUCING BIOACTIVE FUSION PROTEINS AMGEN INC. (US) 2013-08-22 US disclosed
US-20120121591-A1 SELECTIVE AND POTENT PEPTIDE INHIBITORS OF Kv1.3 AMGEN INC. (US) 2012-05-17 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 (6 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-20130217625-A1 COMPOSITIONS AND METHODS FOR PRODUCING BIOACTIVE FUSION PROTEINS HGFAC, HDGF, GRB2 MGLL 4489/4885PTGS1 4059/4885PTGS2 4404/4885
US-20140073577-A1 POTENT AND SELECTIVE INHIBITORS OF NAV1.3 AND NAV1.7 SCN7A, SCN3A, SCN9A MGLL 4473/4885PTGS1 3181/4885PTGS2 3564/4885
US-20120121591-A1 SELECTIVE AND POTENT PEPTIDE INHIBITORS OF Kv1.3 KCNJ4, KCNK4, KCNQ4 MGLL 3636/4885PTGS1 3442/4885PTGS2 3715/4885
US-20150023988-A1 POTENT AND SELECTIVE INHIBITORS OF NAV1.7 SCN7A, SCN9A, SCN1A MGLL 4337/4885PTGS1 2922/4885PTGS2 3218/4885
US-20160024159-A1 POTENT AND SELECTIVE INHIBITORS OF NAV1.7 SCN7A, SCN9A, SCN1A MGLL 4337/4885PTGS1 2922/4885PTGS2 3218/4885
US-20160304570-A1 POTENT AND SELECTIVE INHIBITORS OF NAV1.3 AND NAV1.7 SCN7A, SCN3A, SCN9A MGLL 4473/4885PTGS1 3181/4885PTGS2 3564/4885

“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.