SCHEMBL1668558

SCHEMBL1668558

O=C(O)C(O)c1cccc(F)c1F

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 6/20 0.66
CES1 P23141 6/20 0.66
BCHE P06276 1/20 0.45
GLS O94925 1/20 0.45
LMNA P02545 3/20 0.43
MAPK1 P28482 1/20 0.43
ALB P02768 1/20 0.42
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN7 P35236 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
ESR2 Q92731 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CNR2 P34972 1/20 0.37
FABP4 P15090 1/20 0.36
FABP5 Q01469 1/20 0.36

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
SCHEMBL23972274 1.00 CES2 (0.66) CES2CES1BCHEGLSLMNA
SCHEMBL31407017 1.00 CES2 (0.66) CES2CES1BCHEGLSLMNA
SCHEMBL31407025 1.00 CES2 (0.66) CES2CES1BCHEGLSLMNA
SCHEMBL1668559 1.00 CES2 (0.66) CES2CES1BCHEGLSLMNA
SCHEMBL1668623 0.87 CES2 (0.53) CES2CES1BCHEGLSLMNA
SCHEMBL1671676 0.83 CES2 (0.63) CES2CES1LMNAMAPK1POLB
SCHEMBL30670483 0.83 CES2 (0.63) CES2CES1LMNAMAPK1POLB
SCHEMBL469655 0.83 CES2 (0.63) CES2CES1LMNAMAPK1POLB
SCHEMBL11354965 0.83 CES2 (0.63) CES2CES1LMNAMAPK1POLB
SCHEMBL19716935 0.82 CES2 (0.64) CES2CES1BCHEGLSALB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2485678-A1 COFERONS AND METHODS OF MAKING AND USING THEM Cornell University (US) 2012-08-15 EP claimed
WO-2011043817-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2011-04-14 WO claimed
EP-4142874-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RaQualia Pharma Inc. (JP) 2023-03-08 EP disclosed
CN-115427409-A Pyrimidin-4 (3H) -one derivatives as TRPV4 antagonists 拉夸里亚创药株式会社 2022-12-02 CN disclosed
WO-2021221169-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2021-11-04 WO disclosed
US-9771345-B2 Coferons and methods of making and using them CORNELL UNIVERSITY (US) 2017-09-26 US disclosed
EP-1819684-B1 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS INTERVET INT BV (NL) 2013-08-07 EP disclosed
US-20120295874-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2012-11-22 US disclosed
EP-2485678-A1 COFERONS AND METHODS OF MAKING AND USING THEM Cornell University (US) 2012-08-15 EP disclosed
US-8236805-B2 Substituted piperazines as CB1 antagonists INTERVET INC. (US) 2012-08-07 US disclosed
US-8236805-B2 Substituted piperazines as CB1 antagonists INTERVET INC. (US) 2012-08-07 US disclosed
EP-1077701-A4 ANTI-VIRAL COMPOUNDS LILLY CO ELI (US) 2002-03-20 EP disclosed
WO-2001034639-A2 β-AMINOACID COMPOUNDS USEFUL FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS ELI LILLY AND COMPANY (US) 2001-05-17 WO disclosed
WO-2001034571-A1 β-AMINOACID COMPOUNDS USEFUL FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS ELI LILLY AND COMPANY (US) 2001-05-17 WO disclosed
CN-1292697-A Anti-viral compound LILLY CO ELI (US) 2001-04-25 CN disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2001016093-A1 SUBSTITUTED α-HYDROXY ACID CASPASE INHIBITORS AND THE USE THEREOF CYTOVIA, INC. (US) 2001-03-08 WO disclosed
EP-1077701-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 2001-02-28 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
WO-1999059587-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 1999-11-25 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 (1 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-20120295874-A1 COFERONS AND METHODS OF MAKING AND USING THEM MYOF, FTH1, HCCS CES2 941/4885CES1 2775/4885BCHE 2594/4885

“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.