SCHEMBL2903566

SCHEMBL2903566

CCCC(=O)O[CH]c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HPGD P15428 2/20 0.41
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
ALOX5 P09917 1/20 0.40
TP53 P04637 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 2/20 0.39
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 1/20 0.38
RECQL P46063 1/20 0.38
NR1I2 O75469 1/20 0.38

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
SCHEMBL6622376 0.89 MEN1 (0.50) MEN1KMT2ACES2CES1L3MBTL1
SCHEMBL10859938 0.86 TDP1 (0.53) MEN1KMT2ACES2CES1LMNA
SCHEMBL2903284 0.85 MEN1 (0.46) MEN1KMT2ACES2CES1SMN1; SMN2
SCHEMBL3239706 0.82 NPC1 (0.44) MEN1KMT2ACES2CES1SMN1; SMN2
SCHEMBL15154014 0.82 LMNA (0.40) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL11819176 0.82 NPC1 (0.44) MEN1KMT2ACES2CES1SMN1; SMN2
SCHEMBL15154021 0.77 BCL9 (0.61) MEN1KMT2ASMN1; SMN2HPGDALDH1A1
SCHEMBL11358699 0.77 RECQL (0.46) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL150958 0.77 AOC2 (0.41) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL2906150 0.76 MIF (0.43) MEN1KMT2AL3MBTL1HPGDALDH1A1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4200575-A 7[(2-Thiazolyl)-2-(oxoimino)acetamido]cephalosporin derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1980-04-29 US claimed
US-8268772-B2 Depot preparations SYMRISE AG (DE) 2012-09-18 US disclosed
EP-2217564-A1 COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE XenoPort, Inc. (US) 2010-08-18 EP disclosed
US-20090076147-A1 COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. 2009-03-19 US disclosed
WO-2009033054-A1 COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. (US) 2009-03-12 WO disclosed
US-20060111269-A1 Depot preparations SYMRISE AG (DE) 2006-05-25 US disclosed
US-20040235761-A1 Novel virus proliferaton inhibition/virucidal method and novel pyradine nucleotide/pyradine nucleoside analogue TOYAMA CHEMICAL CO., LTD. (JP) 2004-11-25 US disclosed
EP-1417967-A1 NOVEL VIRUS PROLIFERATION INHIBITION/VIRUCIDAL METHOD AND NOVEL PYRADINE NUCLEOTIDE/PYRADINE NUCLEOSIDE ANALOGUE TOYAMA CHEMICAL CO., LTD. (JP) 2004-05-12 EP disclosed
US-4200575-A 7[(2-Thiazolyl)-2-(oxoimino)acetamido]cephalosporin derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1980-04-29 US 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-20090076147-A1 COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE ADSL, SLC19A1, SLC25A21 MEN1 1102/4885KMT2A 4109/4885CES2 537/4885
US-20040235761-A1 Novel virus proliferaton inhibition/virucidal method and novel pyradine nucleotide/pyradine nucleoside analogue CDK5, NT5C3B, CDK15 MEN1 2916/4885KMT2A 1499/4885CES2 3788/4885

“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.