SCHEMBL3235476

SCHEMBL3235476

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCN[C@@H](C)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.65
SLC6A5 Q9Y345 1/20 0.65
PPARG P37231 5/20 0.54
ALDH1A1 P00352 5/20 0.54
PPARD Q03181 4/20 0.54
PPARA Q07869 4/20 0.54
F7 P08709 4/20 0.54
F3 P13726 4/20 0.54
FFAR1 O14842 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
KDM4E B2RXH2 2/20 0.54
LMNA P02545 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP19A1 P11511 2/20 0.54
FABP4 P15090 2/20 0.54
HPGD P15428 2/20 0.54
ALOX15 P16050 2/20 0.54
NR4A2 P43354 2/20 0.54
HSD17B10 Q99714 2/20 0.54
TDP1 Q9NUW8 2/20 0.54

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
SCHEMBL6703349 1.00 SMN1; SMN2 (0.65) SMN1; SMN2SLC6A5PPARGALDH1A1PPARD
SCHEMBL6703351 1.00 SMN1; SMN2 (0.65) SMN1; SMN2SLC6A5PPARGALDH1A1PPARD
SCHEMBL3235483 1.00 SMN1; SMN2 (0.65) SMN1; SMN2SLC6A5PPARGALDH1A1PPARD
SCHEMBL9656107 0.94 FAAH (0.56) SMN1; SMN2SLC6A5PPARGPPARDPPARA
SCHEMBL2850175 0.94 FAAH (0.56) SMN1; SMN2SLC6A5PPARGPPARDPPARA
SCHEMBL7940500 0.94 FAAH (0.56) SMN1; SMN2SLC6A5PPARGPPARDPPARA
SCHEMBL7940508 0.94 FAAH (0.56) SMN1; SMN2SLC6A5PPARGPPARDPPARA
SCHEMBL31438435 0.85 ALDH1A1 (0.50) SMN1; SMN2SLC6A5PPARGALDH1A1PPARD
SCHEMBL2114688 0.85 SMN1; SMN2 (0.49) SMN1; SMN2SLC6A5FFAR1MAPT
SCHEMBL171001 0.85 SMN1; SMN2 (0.49) SMN1; SMN2SLC6A5FFAR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040029207-A1 Compositions and methods for detecting and quantifying COX-2 activity by lipoamino acid metabolism NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-02-12 US claimed
WO-2003014699-A2 COMPOSITIONS AND METHODS FOR DETECTING AND QUANTIFYING COX-2 ACTIVITY BY LIPOAMINO ACID METABOLISM VANDERBILT UNIVERSITY (US) 2003-02-20 WO claimed
US-20170216240-A1 METHODS FOR MODULATING IKS CHANNEL ACTIVITY UNIVERSITY OF MIAMI 2017-08-03 US disclosed
WO-2016022567-A2 METHODS FOR MODULATING IKS CHANNEL ACTIVITY UNIVERSITY OF MIAMI (US) 2016-02-11 WO disclosed
US-20100069491-A1 LIPID-AMINO ACID CONJUGATES AND METHODS OF USE UNIVERSITY OF MASSACHUSETTS (US) 2010-03-18 US disclosed
US-7544714-B2 Lipid-amino acid conjugates and methods of use UNIVERSITY OF MASSACHUSETTS (US) 2009-06-09 US disclosed
US-7314709-B2 Compositions and methods for detecting and quantifying COX-2 activity by lipoamino acid metabolism VANDERBILT UNIVERSITY (US) 2008-01-01 US disclosed
US-7314709-B2 Compositions and methods for detecting and quantifying COX-2 activity by lipoamino acid metabolism VANDERBILT UNIVERSITY (US) 2008-01-01 US disclosed
EP-1778210-A2 LIPID-AMINO ACID CONJUGATES AND METHODS OF USE University of Massachusetts (US) 2007-05-02 EP disclosed
WO-2006010153-A2 LIPID-AMINO ACID CONJUGATES AND METHODS OF USE UNIVERSITY OF MASSACHUSETTS (US) 2006-01-26 WO disclosed
US-20060014820-A1 Lipid-amino acid conjugates and methods of use NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-01-19 US disclosed
WO-2003014699-A3 COMPOSITIONS AND METHODS FOR DETECTING AND QUANTIFYING COX-2 ACTIVITY BY LIPOAMINO ACID METABOLISM UNIV VANDERBILT (US) 2005-03-31 WO disclosed
US-20040029207-A1 Compositions and methods for detecting and quantifying COX-2 activity by lipoamino acid metabolism NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-02-12 US disclosed
US-20040029207-A1 Compositions and methods for detecting and quantifying COX-2 activity by lipoamino acid metabolism NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-02-12 US disclosed
WO-2003014699-A8 COMPOSITIONS AND METHODS FOR DETECTING AND QUANTIFYING COX-2 ACTIVITY BY LIPOAMINO ACID METABOLISM UNIV VANDERBILT (US) 2003-08-21 WO disclosed
WO-2003014699-A2 COMPOSITIONS AND METHODS FOR DETECTING AND QUANTIFYING COX-2 ACTIVITY BY LIPOAMINO ACID METABOLISM VANDERBILT UNIVERSITY (US) 2003-02-20 WO disclosed
WO-2003014699-A2 COMPOSITIONS AND METHODS FOR DETECTING AND QUANTIFYING COX-2 ACTIVITY BY LIPOAMINO ACID METABOLISM VANDERBILT UNIVERSITY (US) 2003-02-20 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 (3 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-20060014820-A1 Lipid-amino acid conjugates and methods of use SLC27A2, SLC27A1, FABP2 SMN1; SMN2 4184/4885SLC6A5 1512/4885PPARG 160/4885
US-20100069491-A1 LIPID-AMINO ACID CONJUGATES AND METHODS OF USE SLC27A2, SLC27A1, FABP2 SMN1; SMN2 4184/4885SLC6A5 1512/4885PPARG 160/4885
US-20170216240-A1 METHODS FOR MODULATING IKS CHANNEL ACTIVITY KCNN3, KCNN2, KCNN1 SMN1; SMN2 3819/4885SLC6A5 2727/4885PPARG 732/4885

“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.