SCHEMBL1520249

SCHEMBL1520249

Cc1ccc(NC(=O)CCCC(=O)O)c(C)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.74
GAA P10253 2/20 0.74
HDAC3 O15379 2/20 0.73
HDAC4 P56524 2/20 0.73
HDAC1 Q13547 2/20 0.73
HDAC7 Q8WUI4 2/20 0.73
HDAC2 Q92769 2/20 0.73
HDAC10 Q969S8 2/20 0.73
HDAC11 Q96DB2 2/20 0.73
HDAC8 Q9BY41 2/20 0.73
HDAC6 Q9UBN7 2/20 0.73
HDAC9 Q9UKV0 2/20 0.73
HDAC5 Q9UQL6 2/20 0.73
MEN1 O00255 3/20 0.68
LMNA P02545 3/20 0.62
TP53 P04637 2/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
THRB P10828 1/20 0.62
ALDH1A1 P00352 2/20 0.62
HTT P42858 1/20 0.62

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
SCHEMBL13010627 0.90 KMT2A (0.72) KMT2AGAAHDAC3HDAC4HDAC1
SCHEMBL14426831 0.88 GAA (0.78) KMT2AGAAHDAC3HDAC4HDAC1
SCHEMBL7822081 0.86 KMT2A (0.57) KMT2AGAAHDAC3HDAC4HDAC1
SCHEMBL7110773 0.86 GAA (0.62) KMT2AGAAHDAC3HDAC4HDAC1
SCHEMBL7104358 0.86 KMT2A (0.59) KMT2AGAAHDAC3HDAC4HDAC1
SCHEMBL7823782 0.85 KDM4E (0.70) KMT2AGAAHDAC3HDAC4HDAC1
SCHEMBL7110800 0.85 KMT2A (0.58) KMT2AGAAHDAC3HDAC4HDAC1
SCHEMBL6821614 0.84 HDAC3 (0.78) KMT2AGAAHDAC3HDAC4HDAC1
SCHEMBL7719074 0.83 GAA (0.76) KMT2AGAAHDAC3HDAC4HDAC1
SCHEMBL25737020 0.82 MEN1 (0.74) KMT2AGAAHDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130289083-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION 2013-10-31 US disclosed
US-20130289083-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION 2013-10-31 US disclosed
EP-2366704-B1 Inhibitors of serine proteases VERTEX PHARMA (US) 2013-10-23 EP disclosed
EP-2631238-A1 Spirocyclic inhibitors of serine proteases for the treatment of hcv infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-28 EP disclosed
US-8372873-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-12 US disclosed
EP-1917269-B1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMA (US) 2011-10-26 EP disclosed
EP-2366704-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-21 EP disclosed
EP-2364984-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-14 EP disclosed
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-28 US disclosed
US-7964624-B1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-21 US disclosed
US-20110053941-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-03-03 US disclosed
US-20110053941-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-03-03 US disclosed
US-20110053941-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-03-03 US disclosed
US-20070196395-A1 Immunomodulatory compounds that target and inhibit the py'binding site of tyrosene kinase p56 lck sh2 domain UNIVERSITY OF MARYLAND, BALTIMORE 2007-08-23 US disclosed
US-20070196395-A1 Immunomodulatory compounds that target and inhibit the py'binding site of tyrosene kinase p56 lck sh2 domain UNIVERSITY OF MARYLAND, BALTIMORE 2007-08-23 US disclosed
US-20070099970-A1 Immunomodulatory compounds that target and inhibit the pY'binding site of tyrosene kinase p56 LCK SH2 domain UNIVERSITY OF MARYLAND, BALTIMORE 2007-05-03 US disclosed
US-20070099970-A1 Immunomodulatory compounds that target and inhibit the pY'binding site of tyrosene kinase p56 LCK SH2 domain UNIVERSITY OF MARYLAND, BALTIMORE 2007-05-03 US disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 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 (5 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-20070099970-A1 Immunomodulatory compounds that target and inhibit the pY'binding site of tyrosene kinase p56 LCK SH2 domain LCK, PTPN6, PTPN22 KMT2A 2476/4885GAA 4124/4885HDAC3 3626/4885
US-20110053941-A1 IDO Inhibitors IDO1, IDO2, INMT KMT2A 597/4885GAA 911/4885HDAC3 669/4885
US-20070196395-A1 Immunomodulatory compounds that target and inhibit the py'binding site of tyrosene kinase p56 lck sh2 domain LCK, PTPN6, PTPN22 KMT2A 2476/4885GAA 4124/4885HDAC3 3626/4885
US-20130289083-A1 IDO Inhibitors IDO1, IDO2, INMT KMT2A 660/4885GAA 1031/4885HDAC3 797/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 KMT2A 2779/4885GAA 771/4885HDAC3 833/4885

“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.