SCHEMBL7082748

SCHEMBL7082748

CCCC(F)(CCC)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.37
FAAH O00519 8/20 0.36
FFAR3 O14843 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
CES1 P23141 5/20 0.34
MEN1 O00255 2/20 0.34
CYP1A2 P05177 2/20 0.34
KMT2A Q03164 2/20 0.34
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 2/20 0.33
FDPS P14324 1/20 0.33
THRB P10828 1/20 0.33
LPAR1 Q92633 1/20 0.32
LPAR3 Q9UBY5 1/20 0.32

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
SCHEMBL14968474 0.90 MEN1 (0.35) CES2FAAHFFAR3HDAC3HDAC1
SCHEMBL14968473 0.90 MEN1 (0.35) CES2FAAHFFAR3HDAC3HDAC1
SCHEMBL27534637 0.89 CES2 (0.48) CES2FAAHCES1MEN1CYP1A2
SCHEMBL27372386 0.87 CES2 (0.52) CES2FAAHCES1MEN1CYP1A2
SCHEMBL5936825 0.84 ALDH1A1 (0.31) CES2FAAHHSD17B10ALDH1A1LPAR1
SCHEMBL25341533 0.80 CES2 (0.55) CES2FAAHCES1MEN1CYP1A2
SCHEMBL31483505 0.80 CES2 (0.55) CES2FAAHCES1MEN1CYP1A2
SCHEMBL18868945 0.80 CES2 (0.50) CES2FAAHCES1MEN1CYP1A2
SCHEMBL29093351 0.80 CES2 (0.55) CES2FAAHCES1MEN1CYP1A2
SCHEMBL30451394 0.80 CES2 (0.55) CES2FAAHCES1MEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230058189-A1 QUINOLIN-4-ONE AND 4(1H)-CINNOLINONE COMPOUNDS AND METHODS OF USING SAME Frequency Therapeutics, Inc. (US) 2023-02-23 US disclosed
US-20220175776-A1 COMBINATION OF CHIR99021 AND VALPROIC ACID FOR TREATING HEARING LOSS Frequency Therapeutics, Inc. (US) 2022-06-09 US disclosed
CN-114340611-A Combination of CHIR99021 and valproic acid for the treatment of hearing loss 频率医疗公司 2022-04-12 CN disclosed
EP-3952854-A1 COMBINATION OF CHIR99021 AND VALPROIC ACID FOR TREATING HEARING LOSS Frequency Therapeutics, Inc. (US) 2022-02-16 EP disclosed
US-20210300948-A1 1H-PYRROLE-2,5-DIONE COMPOUNDS AND METHODS OF USING THEM TO INDUCE SELF-RENEWAL OF STEM/PROGENITOR SUPPORTING CELLS Frequency Therapeutics, Inc. 2021-09-30 US disclosed
US-11066419-B2 1H-pyrrole-2,5-dione compounds and methods of using same Frequency Therapeutics, Inc. (US) 2021-07-20 US disclosed
WO-2020210388-A1 COMBINATION OF CHIR99021 AND VALPROIC ACID FOR TREATING HEARING LOSS Frequency Therapeutics, Inc. (US) 2020-10-15 WO disclosed
US-20200316089-A1 1,2-DIHYDRO-3H-PYRAZOL-3-ONE COMPOUNDS AND METHODS OF USING SAME Frequency Therapeutics, Inc. 2020-10-08 US disclosed
US-20190352313-A1 1H-PYRROLE-2,5-DIONE COMPOUNDS AND METHODS OF USING THEM TO INDUCE SELF-RENEWAL OF STEM/PROGENITOR SUPPORTING CELLS Frequency Therapeutics, Inc. 2019-11-21 US disclosed
US-10383881-B2 1,5-dihydro-2H-pyrrol-2-one compounds and methods of using same Frequency Therapeutics, Inc. (US) 2019-08-20 US disclosed
EP-1330429-A2 ALKYNYL AMIDES AND THEIR THERAPEUTIC APPLICATIONS Abbott Laboratories (US) 2003-07-30 EP disclosed
US-6521790-B2 A most preferred compound is (2R)-2-propyl-4-hexynamide, an analog of valproic acid. treating seizures, migraine, psychiatric disorders, neuropathic pain and restlessness syndrome; neuroprotecting a cerebral insult; ABBOTT LABORATORIES 2003-02-18 US disclosed
US-20020123528-A1 Alkynyl amides and their therapeutic applications ABBVIE INC. 2002-09-05 US disclosed
WO-2002036546-A2 ALKYNYL AMIDES AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LABORATORIES (US) 2002-05-10 WO disclosed
CN-1306503-A 2-fluoro-2-alkyl alkanoamides with anticonvulsant activity HEINZ NAU (DE) 2001-08-01 CN disclosed
EP-1089962-A1 2-FLUORO-2-ALKYL ALKANOAMIDES WITH ANTICONVULSANT ACTIVITY AMERICAN BIOGENETIC SCIENCES, INC. (US) 2001-04-11 EP disclosed
EP-1089960-A1 ALPHA-FLUORO ALKYNOIC ACIDS WITH ANTICONVULSANT ACTIVITY AMERICAN BIOGENETIC SCIENCES, INC. (US) 2001-04-11 EP disclosed
US-6184401-B1 ANTICONVULSANTS,-EPILEPTIC AGENTS; COMPARABLE TO VALPROIC ACID IN THEIR PREVENTION OF SEIZURES BUT HAVE REDUCED TERATOGENIC POTENTIAL, LONGER DURATION OF ACTION AND REDUCED SIDE EFFECTS AMERICAN BIOGENETIC SCIENCES 2001-02-06 US disclosed
WO-1999067195-A1 ALPHA-FLUORO ALKYNOIC ACIDS WITH ANTICONVULSANT ACTIVITY AMERICAN BIOGENETIC SCIENCES INC. (US) 1999-12-29 WO disclosed
WO-1999067199-A1 2-FLUORO-2-ALKYL ALKANOAMIDES WITH ANTICONVULSANT ACTIVITY AMERICAN BIOGENETIC SCIENCES INC. (US) 1999-12-29 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 (8 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-20020123528-A1 Alkynyl amides and their therapeutic applications SCN1A, FAAH2, SCN1B CES2 779/4885FAAH 4/4885FFAR3 538/4885
US-20210300948-A1 1H-PYRROLE-2,5-DIONE COMPOUNDS AND METHODS OF USING THEM TO INDUCE SELF-RENEWAL OF STEM/PROGENITOR SUPPORTING CELLS MCL1, PROX1, MKI67 CES2 4155/4885FAAH 3993/4885FFAR3 4818/4885
US-20200316089-A1 1,2-DIHYDRO-3H-PYRAZOL-3-ONE COMPOUNDS AND METHODS OF USING SAME DCX, MCL1, MKI67 CES2 3748/4885FAAH 4271/4885FFAR3 4579/4885
US-20220175776-A1 COMBINATION OF CHIR99021 AND VALPROIC ACID FOR TREATING HEARING LOSS HES1, SHH, HDAC11 CES2 3313/4885FAAH 529/4885FFAR3 4500/4885
US-10383881-B2 1,5-dihydro-2H-pyrrol-2-one compounds and methods of using same DCX, MKI67, MCL1 CES2 3689/4885FAAH 2800/4885FFAR3 4760/4885
US-20230058189-A1 QUINOLIN-4-ONE AND 4(1H)-CINNOLINONE COMPOUNDS AND METHODS OF USING SAME DCX, NES, MCL1 CES2 1032/4885FAAH 3799/4885FFAR3 4851/4885
US-11066419-B2 1H-pyrrole-2,5-dione compounds and methods of using same MKI67, PROX1, DCX CES2 3521/4885FAAH 3646/4885FFAR3 4843/4885
US-20190352313-A1 1H-PYRROLE-2,5-DIONE COMPOUNDS AND METHODS OF USING THEM TO INDUCE SELF-RENEWAL OF STEM/PROGENITOR SUPPORTING CELLS MCL1, PROX1, MKI67 CES2 4155/4885FAAH 3993/4885FFAR3 4818/4885

“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.