SCHEMBL406383

SCHEMBL406383

CCCC(=O)OCC(CCC(=O)O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP1A2 P05177 2/20 0.47
PKM P14618 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CYSLTR2 Q9NS75 3/20 0.39
CYSLTR1 Q9Y271 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
GABBR2 O75899 1/20 0.38
GABBR1 Q9UBS5 1/20 0.38
PRKCA P17252 1/20 0.38
PRKCD Q05655 1/20 0.38
F2 P00734 1/20 0.38
HDAC3 O15379 1/20 0.37

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
SCHEMBL28657375 0.87 GABBR2 (0.50) CYP2D6SMN1; SMN2CYP1A2PKMNPSR1
SCHEMBL28014435 0.86 SMN1; SMN2 (0.45) CYP2D6SMN1; SMN2CYP1A2PKMNPSR1
SCHEMBL1892710 0.84 SMN1; SMN2 (0.40) CYP2D6SMN1; SMN2CYP1A2PKMNPSR1
SCHEMBL21046175 0.82 SMN1; SMN2 (0.50) CYP2D6SMN1; SMN2CYP1A2PKMNPSR1
SCHEMBL21046173 0.80 SMN1; SMN2 (0.54) CYP2D6SMN1; SMN2CYP1A2PKMNPSR1
SCHEMBL15474967 0.79 PRKCA (0.53) CYP2D6SMN1; SMN2CYP1A2PKMNPSR1
SCHEMBL8904725 0.79 HDAC3 (0.47) CYP2D6SMN1; SMN2CYP1A2PKMNPSR1
SCHEMBL1532583 0.78 TLR2 (0.44) CYP2D6SMN1; SMN2CYP1A2PKMNPSR1
SCHEMBL28604790 0.78 LMNA (0.48) CYP2D6SMN1; SMN2CYP1A2PKMNPSR1
SCHEMBL1172092 0.78 TLR2 (0.44) CYP2D6SMN1; SMN2CYP1A2PKMNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2838522-B1 PHENYLBUTYRATE FOR THE TREATMENT OF MEDIUM-CHAIN ACYL-COA DEHYDROGENASE DEFICIENCY UNIV PITTSBURGH COMMONWEALTH SYS HIGHER EDUCATION (US) 2024-02-21 EP claimed
US-11786494-B2 Methods of modulation of branched chain acids and uses thereof BAYLOR COLLEGE OF MEDICINE (US) 2023-10-17 US claimed
US-20200147016-A1 METHODS OF MODULATION OF BRANCHED CHAIN ACIDS AND USES THEREOF ACER THERAPEUTICS INC. 2020-05-14 US claimed
US-20190151268-A1 METHODS OF MODULATION OF BRANCHED CHAIN ACIDS AND USES THEREOF ACER THERAPEUTICS INC. 2019-05-23 US claimed
EP-2456304-B1 METHODS OF MODULATION OF BRANCHED CHAIN ACIDS AND USES THEREOF BAYLOR COLLEGE MEDICINE (US) 2015-08-19 EP claimed
US-20240238230-A1 METHODS OF MODULATION OF BRANCHED CHAIN ACIDS AND USES THEREOF BAYLOR COLLEGE OF MEDICINE 2024-07-18 US disclosed
EP-2838522-B1 PHENYLBUTYRATE FOR THE TREATMENT OF MEDIUM-CHAIN ACYL-COA DEHYDROGENASE DEFICIENCY UNIV PITTSBURGH COMMONWEALTH SYS HIGHER EDUCATION (US) 2024-02-21 EP disclosed
US-11786494-B2 Methods of modulation of branched chain acids and uses thereof BAYLOR COLLEGE OF MEDICINE (US) 2023-10-17 US disclosed
EP-3222275-B1 METHODS OF THERAPEUTIC MONITORING OF PHENYLACETIC ACID PRODRUGS IMMEDICA PHARMA AB (SE) 2020-06-24 EP disclosed
US-20200147016-A1 METHODS OF MODULATION OF BRANCHED CHAIN ACIDS AND USES THEREOF ACER THERAPEUTICS INC. 2020-05-14 US disclosed
US-20190151268-A1 METHODS OF MODULATION OF BRANCHED CHAIN ACIDS AND USES THEREOF ACER THERAPEUTICS INC. 2019-05-23 US disclosed
US-10092532-B2 Methods of modulation of branched chain acids and uses thereof BAYLOR COLLEGE OF MEDICINE (US) 2018-10-09 US disclosed
US-20120022157-A1 DOSING AND MONITORING PATIENTS ON NITROGEN-SCAVENGING DRUGS UCYCLYD PHARMA, INC (US) 2012-01-26 US disclosed
EP-2338050-A1 DOSING AND MONITORING PATIENTS ON NITROGEN-SCAVENGING DRUGS Ucyclyd Pharma, Inc. (US) 2011-06-29 EP disclosed
EP-2330892-A1 METHODS OF TREATMENT USING AMMONIA-SCAVENGING DRUGS Ucyclyd Pharma, Inc. (US) 2011-06-15 EP disclosed
WO-2011011781-A1 METHODS OF MODULATION OF BRANCHED CHAIN ACIDS AND USES THEREOF BAYLOR COLLEGE OF MEDICINE (US) 2011-01-27 WO disclosed
WO-2010025303-A9 DOSING AND MONITORING PATIENTS ON NITROGEN-SCAVENGING DRUGS HYPERION THERAPEUTICS (US) 2010-06-24 WO disclosed
WO-2010025303-A1 DOSING AND MONITORING PATIENTS ON NITROGEN-SCAVENGING DRUGS HYPERION THERAPEUTICS (US) 2010-03-04 WO disclosed
US-20100008859-A1 METHODS OF TREATMENT USING AMMONIA-SCAVENGING DRUGS HORIZON THERAPEUTICS U.S. HOLDING LLC 2010-01-14 US disclosed
WO-2009134460-A1 METHODS OF TREATMENT USING AMMONIA-SCAVENGING DRUGS HYPERION THERAPEUTICS (US) 2009-11-05 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 (7 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-20190151268-A1 METHODS OF MODULATION OF BRANCHED CHAIN ACIDS AND USES THEREOF OAT, ABAT, BCKDK CYP2D6 2419/4885SMN1; SMN2 280/4885CYP1A2 2234/4885
US-20240238230-A1 METHODS OF MODULATION OF BRANCHED CHAIN ACIDS AND USES THEREOF OAT, ABAT, BCKDK CYP2D6 2419/4885SMN1; SMN2 280/4885CYP1A2 2234/4885
US-10092532-B2 Methods of modulation of branched chain acids and uses thereof OAT, ABAT, BCKDK CYP2D6 2419/4885SMN1; SMN2 280/4885CYP1A2 2234/4885
US-20120022157-A1 DOSING AND MONITORING PATIENTS ON NITROGEN-SCAVENGING DRUGS PLPBP, GLS, NPPA CYP2D6 199/4885SMN1; SMN2 2688/4885CYP1A2 366/4885
US-20100008859-A1 METHODS OF TREATMENT USING AMMONIA-SCAVENGING DRUGS OAT, SLC1A5, GLS CYP2D6 392/4885SMN1; SMN2 2015/4885CYP1A2 514/4885
US-20200147016-A1 METHODS OF MODULATION OF BRANCHED CHAIN ACIDS AND USES THEREOF OAT, ABAT, BCKDK CYP2D6 2419/4885SMN1; SMN2 280/4885CYP1A2 2234/4885
US-11786494-B2 Methods of modulation of branched chain acids and uses thereof OAT, ABAT, BCKDK CYP2D6 2419/4885SMN1; SMN2 280/4885CYP1A2 2234/4885

“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.