SCHEMBL1334928

SCHEMBL1334928

CCCCCCCCCCCCCCCC(=O)C(=O)C(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CES1 P23141 11/20 0.63
FAAH O00519 11/20 0.63
CES2 O00748 7/20 0.63
MEN1 O00255 1/20 0.63
CYP1A2 P05177 1/20 0.63
KMT2A Q03164 1/20 0.63
HSD17B10 Q99714 1/20 0.63

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
SCHEMBL29794313 1.00 CES1 (0.63) CES1FAAHCES2MEN1CYP1A2
SCHEMBL2897766 0.89 FAAH (0.70) CES1FAAHMEN1CYP1A2KMT2A
SCHEMBL2897767 0.89 FAAH (0.70) CES1FAAHMEN1CYP1A2KMT2A
SCHEMBL14886368 0.84 CES1 (0.55) CES1FAAHCES2MEN1CYP1A2
SCHEMBL31550553 0.83 CES1 (0.58) CES1FAAHCES2MEN1CYP1A2
SCHEMBL5514001 0.80 CES2 (0.65) CES1CES2MEN1KMT2AHSD17B10
SCHEMBL28700622 0.79 CES1 (0.52) CES1FAAHCES2MEN1CYP1A2
SCHEMBL1692355 0.78 CES2 (1.00) CES1CES2MEN1KMT2AHSD17B10
SCHEMBL11438920 0.78 CES2 (1.00) CES1CES2MEN1KMT2AHSD17B10
SCHEMBL14351405 0.78 CES2 (1.00) CES1CES2MEN1KMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150338425-A1 TREATMENT AND PROGNOSIS OF LYMPHANGIOLEIOMYOMATOSIS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2015-11-26 US claimed
WO-2013074583-A1 TREATMENT AND PROGNOSIS OF LYMPHANGIOLEIOMYOMATOSIS THE BROAD INSTITUTE, INC. (US) 2013-05-23 WO claimed
EP-1747003-A4 PHOSPHOLIPASE INHIBITORS LOCALIZED IN THE GASTROINTESTINAL LUMEN ILYPSA INC (US) 2008-01-09 EP claimed
US-20070292385-A1 Phospholipase Inhibitors Localized in the Gastrointestinal Lumen ILYPSA, INC. 2007-12-20 US claimed
EP-1747003-A1 PHOSPHOLIPASE INHIBITORS LOCALIZED IN THE GASTROINTESTINAL LUMEN Ilypsa, Inc. (US) 2007-01-31 EP claimed
US-20060058225-A1 Used of inhibitors of phospholipase a2 for the treatment, prevention or diagnosis of neural inflammatory or demyelinating disease MCGILL UNIVERSITY 2006-03-16 US claimed
WO-2005107766-A1 PHOSPHOLIPASE INHIBITORS LOCALIZED IN THE GASTROINTESTINAL LUMEN ILYPSA, INC. (US) 2005-11-17 WO claimed
US-20050244367-A1 Phospholipase inhibitors localized in the gastrointestinal lumen ILYPSA, INC. (US) 2005-11-03 US claimed
EP-1509247-A1 USE OF INHIBITORS OF PHOSPHOLIPASE A2 FOR THE TREATMENT, PREVENTION OR DIAGNOSIS OF NEURAL INFLAMMATORY OR DEMYELINATING DIESEASES McGILL UNIVERSITY (CA) 2005-03-02 EP claimed
WO-2003101487-A1 USE OF INHIBITORS OF PHOSPHOLIPASE A2 FOR THE TREATMENT, PREVENTION OR DIAGNOSIS OF NEURAL INFLAMMATORY OR DEMYELINATING DISEASE MCGILL UNIVERSITY (CA) 2003-12-11 WO claimed
US-20030225011-A1 Phospholipase A2 expression and activity and use thereof for diagnosis, prognostication, prevention and treatment of neural inflammatory and demyelinating disease MCGILL UNIVERSITY (CA) 2003-12-04 US claimed
WO-2022202099-A1 METHOD FOR TESTING FOR INFLAMMATORY BOWEL DISEASE 国立大学法人大阪大学 2022-09-29 WO disclosed
US-20150338425-A1 TREATMENT AND PROGNOSIS OF LYMPHANGIOLEIOMYOMATOSIS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2015-11-26 US disclosed
WO-2013074583-A1 TREATMENT AND PROGNOSIS OF LYMPHANGIOLEIOMYOMATOSIS THE BROAD INSTITUTE, INC. (US) 2013-05-23 WO disclosed
US-20110280807-A1 Methods and Models for Stress-Induced Analgesia UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2011-11-17 US disclosed
US-5994398-A ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 1999-11-30 US disclosed
US-5866318-A Inhibition of phospholipase A2 to reduce neuronal cell death ATHENA NEUROSCIENCES, INC. (US) 1999-02-02 US disclosed
WO-1998025893-A1 ARYLSULFONAMIDES AS PHOSPHOLIPASE A2 INHIBITORS ATHENA NEUROSCIENCES, INC. (US) 1998-06-18 WO disclosed
US-5707821-A Identification of phospholipase A2 inhibitors in Aβ peptide-mediated neurodegenerative disease ATHENA NEUROSCIENCES, INC. (US) 1998-01-13 US disclosed
WO-1996040982-A1 THERAPEUTIC INHIBITION OF PHOSPHOLIPASE A2 IN NEURODEGENERATIVE DISEASE ATHENA NEUROSCIENCES, INC. (US) 1996-12-19 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 (2 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-20050244367-A1 Phospholipase inhibitors localized in the gastrointestinal lumen PNLIP, PLA2G2E, PLA2G4B CES1 76/4885FAAH 142/4885CES2 528/4885
US-20070292385-A1 Phospholipase Inhibitors Localized in the Gastrointestinal Lumen PNLIP, PLA2G2E, PLA2G4B CES1 76/4885FAAH 142/4885CES2 528/4885

“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.