SCHEMBL584599

SCHEMBL584599

O=C(O)CCc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 14/20 0.64
FFAR4 Q5NUL3 4/20 0.64
PLA2G4A P47712 1/20 0.55
LMNA P02545 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KEAP1 Q14145 1/20 0.52
SRD5A2 P31213 1/20 0.51

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
SCHEMBL1123025 0.95 FFAR1 (0.67) FFAR1FFAR4PLA2G4ALMNAL3MBTL1
SCHEMBL24264814 0.90 HDAC3 (0.55) FFAR1FFAR4PLA2G4A
SCHEMBL30488635 0.89 FFAR1 (0.54) FFAR1FFAR4PLA2G4ALMNAL3MBTL1
SCHEMBL28018674 0.87 F2RL1 (0.51) FFAR1FFAR4PLA2G4A
SCHEMBL1746676 0.87 FFAR1 (0.72) FFAR1FFAR4
SCHEMBL22987222 0.85 EPHX2 (0.69) FFAR1FFAR4
SCHEMBL4046194 0.84 FFAR1 (0.56) FFAR1FFAR4
SCHEMBL5723863 0.84 EPHX1 (0.50) FFAR1FFAR4PLA2G4ALMNA
SCHEMBL12330947 0.84 ALDH1A1 (0.52) FFAR1FFAR4LMNA
SCHEMBL28012694 0.82 NPC1 (0.59) FFAR1FFAR4PLA2G4ASRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1153014-A2 BETA-ALANINE DERIVATIVES MERCK PATENT GmbH (DE) 2001-11-14 EP claimed
WO-2000048996-A2 β-ALANINE DERIVATIVES MERCK PATENT GMBH (DE) 2000-08-24 WO claimed
US-12404265-B2 Substituted pyridine derivatives as SARM1 inhibitors NURA BIO, INC. (US) 2025-09-02 US disclosed
US-20240400579-A1 SPIROCYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION GENENTECH, INC. 2024-12-05 US disclosed
CN-119013287-A Macrocyclic immunomodulators 百时美施贵宝公司 2024-11-22 CN disclosed
EP-4436976-A1 SPIROCYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION Genentech, Inc. (US) 2024-10-02 EP disclosed
CN-118613490-A Macrocyclic immunomodulators 百时美施贵宝公司 2024-09-06 CN disclosed
CN-118510783-A Spiro modulators of cholesterol biosynthesis and their use for promoting remyelination 基因泰克公司 2024-08-16 CN disclosed
EP-4373835-A1 MACROCYLIC IMMUNOMODULATORS Bristol-Myers Squibb Company (US) 2024-05-29 EP disclosed
CN-118076623-A Macrocyclic immunomodulators 百时美施贵宝公司 2024-05-24 CN disclosed
EP-4370530-A1 MACROCYCLIC IMMUNOMODULATORS Bristol-Myers Squibb Company (US) 2024-05-22 EP disclosed
US-20090093464-A1 Naphthalene Derivatives as Modulators of the Glucocorticoid Receptor SMITHKLINE BEECHMA CORPORATION (US) 2009-04-09 US disclosed
EP-1337517-B1 PYRIMIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 2008-11-26 EP disclosed
WO-2008078291-A1 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-07-03 WO disclosed
WO-2007137098-A2 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR KALYPSYS, INC. (US) 2007-11-29 WO disclosed
US-20070270434-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR KALYPSYS, INC. (US) 2007-11-22 US disclosed
EP-1851204-A1 NAPHTHALENE DERIVATIVES AS MODULATORS OF THE GLUCOCORTICOID RECEPTOR SmithKline Beecham Corporation (US) 2007-11-07 EP disclosed
WO-2006091592-A1 NAPHTHALENE DERIVATIVES AS MODULATORS OF THE GLUCOCORTICOID RECEPTOR SMITHKLINE BEECHAM CORPORATION (US) 2006-08-31 WO disclosed
CN-1146541-C Beta-alanine derivatives Ĭ��ר���ɷ����޹�˾ 2004-04-21 CN disclosed
CN-1340046-A Beta-alanine derivatives MERCK PATENT GMBH (DE) 2002-03-13 CN 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 (4 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-12404265-B2 Substituted pyridine derivatives as SARM1 inhibitors SARM1, SARNP, ADRM1 FFAR1 4246/4885FFAR4 4580/4885PLA2G4A 1849/4885
US-20240400579-A1 SPIROCYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION MAG, NR1H2, PMP22 FFAR1 1852/4885FFAR4 2323/4885PLA2G4A 1068/4885
US-20090093464-A1 Naphthalene Derivatives as Modulators of the Glucocorticoid Receptor NR3C1, NR3C2, NR5A1 FFAR1 132/4885FFAR4 249/4885PLA2G4A 1899/4885
US-20070270434-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR PPARD, PPARG, PPARA FFAR1 19/4885FFAR4 25/4885PLA2G4A 2096/4885

“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.