SCHEMBL2615871

SCHEMBL2615871

CC(=O)Cc1ccc(Br)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
GSK3B P49841 2/20 0.42
DAO P14920 1/20 0.42
KDM4E B2RXH2 4/20 0.41
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
ALDH1A1 P00352 2/20 0.37
ESR1 P03372 1/20 0.37
AR P10275 1/20 0.35
POLB P06746 2/20 0.35
ABL1 P00519 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL2331378 0.81 HPGD (0.50) L3MBTL1HDAC1HDAC6CES2CES1
SCHEMBL4967153 0.80 L3MBTL1 (0.47) L3MBTL1HDAC1HDAC6CES2CES1
SCHEMBL9699843 0.79 GSK3B (0.46) L3MBTL1HDAC1HDAC6CES2CES1
SCHEMBL11104922 0.79 HDAC1 (0.44) L3MBTL1HDAC1HDAC6CES2CES1
SCHEMBL11104919 0.79 CES2 (0.48) L3MBTL1HDAC1HDAC6CES2CES1
SCHEMBL1598343 0.79 HDAC1 (0.44) L3MBTL1HDAC1HDAC6CES2CES1
SCHEMBL31298142 0.78 L3MBTL1 (0.43) L3MBTL1HDAC1HDAC6CES2CES1
SCHEMBL9374537 0.77 PRMT6 (0.47) L3MBTL1DAOKDM4ETDP1KMT2A
SCHEMBL5582083 0.76 SMN1; SMN2 (0.50) L3MBTL1HDAC1HDAC6KMT2AMEN1
SCHEMBL4239545 0.75 ALDH1A1 (0.50) GSK3BDAOKDM4EKMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3342779-A1 INHIBITORS OF TRANSGLUTAMINASES Zedira GmbH (DE) 2018-07-04 EP disclosed
US-9334304-B2 Self-assembling peptides bearing organic electronic functionality and applications employing the same THE JOHNS HOPKINS UNIVERSITY (US) 2016-05-10 US disclosed
US-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-31 US disclosed
US-20120101022-A1 SELF-ASSEMBLING PEPTIDES BEARING ORGANIC ELECTRONIC FUNCTIONALITY AND APPLICATIONS EMPLOYING THE SAME THE JOHNS HOPKINS UNIVERSITY (US) 2012-04-26 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-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 L3MBTL1 2087/4885HDAC1 2445/4885HDAC6 2729/4885
US-20120101022-A1 SELF-ASSEMBLING PEPTIDES BEARING ORGANIC ELECTRONIC FUNCTIONALITY AND APPLICATIONS EMPLOYING THE SAME APP, IAPP, DNPEP L3MBTL1 832/4885HDAC1 4804/4885HDAC6 4554/4885

“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.