SCHEMBL2820728

SCHEMBL2820728

CCCC(=O)O[C@H](C)[C@H](N)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
SLC7A5 Q01650 1/20 0.41
LMNA P02545 3/20 0.40
P2RY10 O00398 4/20 0.39
GPR174 Q9BXC1 4/20 0.39
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
FFAR3 O14843 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
CASR P41180 1/20 0.34
DDAH1 O94760 1/20 0.33
NOS1 P29475 1/20 0.33

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
SCHEMBL13583338 1.00 ALDH1A1 (0.41) ALDH1A1SLC7A5LMNAP2RY10GPR174
SCHEMBL16124705 0.89 LMNA (0.50) ALDH1A1SLC7A5LMNAP2RY10GPR174
SCHEMBL31207053 0.86 LMNA (0.61) ALDH1A1LMNAP2RY10GPR174MAPT
SCHEMBL359908 0.86 LMNA (0.61) ALDH1A1LMNAP2RY10GPR174MAPT
SCHEMBL27825794 0.86 LMNA (0.61) ALDH1A1LMNAP2RY10GPR174MAPT
SCHEMBL31207140 0.86 LMNA (0.61) ALDH1A1LMNAP2RY10GPR174MAPT
SCHEMBL359909 0.86 LMNA (0.61) ALDH1A1LMNAP2RY10GPR174MAPT
SCHEMBL16124704 0.86 LMNA (0.61) ALDH1A1LMNAP2RY10GPR174MAPT
SCHEMBL27825787 0.86 LMNA (0.61) ALDH1A1LMNAP2RY10GPR174MAPT
SCHEMBL8982550 0.85 SLC7A5 (0.41) SLC7A5LMNAP2RY10GPR174SLC1A3

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9090669-B2 Short fatty acid tail polymyxin derivatives and uses thereof NORTHERN ANTIBIOTICS LTD. (FI) 2015-07-28 US claimed
US-20140142030-A1 SHORT FATTY ACID TAIL POLYMYXIN DERIVATIVES AND USES THEREOF NORTHERN ANTIBIOTICS LTD. (FI) 2014-05-22 US claimed
US-8642535-B2 Short fatty acid tail polymyxin derivatives and uses thereof NORTHERN ANTIBIOTICS LTD. (FI) 2014-02-04 US claimed
US-20120283176-A1 SHORT FATTY ACID TAIL POLYMYXIN DERIVATIVES AND USES THEREOF NORTHERN ANTIBIOTICS LTD. (FI) 2012-11-08 US claimed
US-20240207213-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS WITH ORAL SYSTEMICALLY BIOAVAILABLE BUTYRATE CONJUGATES THE UNIVERSITY OF CHICAGO 2024-06-27 US disclosed
EP-4326232-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS WITH ORAL SYSTEMICALLY BIOAVAILABLE BUTYRATE CONJUGATES The University of Chicago (US) 2024-02-28 EP disclosed
WO-2022226482-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS WITH ORAL SYSTEMICALLY BIOAVAILABLE BUTYRATE CONJUGATES THE UNIVERSITY OF CHICAGO (US) 2022-10-27 WO disclosed
US-20200188476-A1 ANTI-MICROBIAL AGENT-POLYMER CONJUGATES AND METHODS OF USE THEREOF UNIV CALIFORNIA (US) 2020-06-18 US disclosed
WO-2018195078-A1 ANTI-MICROBIAL AGENT-POLYMER CONJUGATES AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-10-25 WO disclosed
EP-3263586-A1 SHORT FATTY ACID TAIL POLYMYXIN DERIVATIVES AND USES THEREOF Northern Antibiotics Oy (FI) 2018-01-03 EP disclosed
EP-2242765-B1 SHORT FATTY ACID TAIL POLYMYXIN DERIVATIVES AND USES THEREOF NORTHERN ANTIBIOTICS OY (FI) 2017-01-11 EP disclosed
EP-3078672-A1 POLYMYXIN DERIVATIVES AND USES THEREOF Northern Antibiotics Oy (FI) 2016-10-12 EP disclosed
US-7807637-B2 Polymyxin derivatives and uses thereof NORTHERN ANTIBIOTICS OY (FI) 2010-10-05 US disclosed
US-20090239792-A1 SHORT FATTY ACID TAIL POLYMYXIN DERIVATIVES AND USES THEREOF NORTHERN ANTIBIOTICS LTD. (FI) 2009-09-24 US disclosed
US-20090215677-A1 POLYMYXIN DERIVATIVES AND USES THEREOF NORTHERN ANTIBIOTICS LTD. (FI) 2009-08-27 US disclosed
WO-2009098357-A1 SHORT FATTY ACID TAIL POLYMYXIN DERIVATIVES AND USES THEREOF NORTHERN ANTIBIOTICS OY (FI) 2009-08-13 WO disclosed
CN-101501063-A Polymyxin derivatives and uses thereof NORTHERN ANTIBIOTICS OY (FI) 2009-08-05 CN disclosed
EP-2057185-A1 POLYMYXIN DERIVATIVES AND USES THEREOF Northern Antibiotics Oy (FI) 2009-05-13 EP disclosed
US-20080287345-A1 Polymyxin derivatives and uses thereof NORTHERN ANTIBIOTICS OY (FI) 2008-11-20 US disclosed
WO-2008017734-A1 POLYMYXIN DERIVATIVES AND USES THEREOF NORTHERN ANTIBIOTICS OY (FI) 2008-02-14 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 (7 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-20090239792-A1 SHORT FATTY ACID TAIL POLYMYXIN DERIVATIVES AND USES THEREOF TLR5, TLR3, TLR2 ALDH1A1 4688/4885SLC7A5 410/4885LMNA 1825/4885
US-20240207213-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS WITH ORAL SYSTEMICALLY BIOAVAILABLE BUTYRATE CONJUGATES HBB, SI, FABP2 ALDH1A1 493/4885SLC7A5 1199/4885LMNA 2625/4885
US-20090215677-A1 POLYMYXIN DERIVATIVES AND USES THEREOF C5, C9, C3AR1 ALDH1A1 4876/4885SLC7A5 242/4885LMNA 3052/4885
US-20200188476-A1 ANTI-MICROBIAL AGENT-POLYMER CONJUGATES AND METHODS OF USE THEREOF DDOST, MGAM, MSN ALDH1A1 4571/4885SLC7A5 1688/4885LMNA 4287/4885
US-20140142030-A1 SHORT FATTY ACID TAIL POLYMYXIN DERIVATIVES AND USES THEREOF VIP, ELOVL5, TLR5 ALDH1A1 4708/4885SLC7A5 178/4885LMNA 1420/4885
US-20120283176-A1 SHORT FATTY ACID TAIL POLYMYXIN DERIVATIVES AND USES THEREOF ELOVL5, TLR5, VIP ALDH1A1 4715/4885SLC7A5 179/4885LMNA 1402/4885
US-20080287345-A1 Polymyxin derivatives and uses thereof C9, C5, C3AR1 ALDH1A1 4876/4885SLC7A5 224/4885LMNA 3194/4885

“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.