SCHEMBL2853333

SCHEMBL2853333

COc1ccc(CC(=O)CBr)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.59
GSK3B P49841 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.54
F2RL1 P55085 1/20 0.53
CTBP2 P56545 1/20 0.53
ALDH1A1 P00352 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
USP2 O75604 1/20 0.50
TP53 P04637 1/20 0.50
LDHA P00338 1/20 0.50
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.49
NPC1 O15118 1/20 0.49
PKM P14618 1/20 0.49
LMNA P02545 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL3628705 0.88 HTT (0.68) HTTSMN1; SMN2F2RL1CTBP2ALDH1A1
SCHEMBL7153605 0.82 HTT (0.61) HTTSMN1; SMN2F2RL1CTBP2ALDH1A1
SCHEMBL3175977 0.82 HTT (0.61) HTTSMN1; SMN2F2RL1CTBP2ALDH1A1
SCHEMBL8308364 0.81 LMNA (0.50) SMN1; SMN2ALDH1A1CYP3A4TP53KDM4E
SCHEMBL10492444 0.81 NQO1 (0.50) SMN1; SMN2ALDH1A1KDM4EPOLBMAPT
SCHEMBL9216095 0.81 F2RL1 (0.74) GSK3BSMN1; SMN2F2RL1ALDH1A1CYP3A4
SCHEMBL11225811 0.81 HTT (0.59) HTTSMN1; SMN2F2RL1CTBP2ALDH1A1
SCHEMBL3006056 0.81 HTT (0.59) HTTSMN1; SMN2F2RL1CTBP2ALDH1A1
SCHEMBL8867104 0.81 HTT (0.59) HTTSMN1; SMN2F2RL1CTBP2ALDH1A1
SCHEMBL4032340 0.81 NPC1 (0.66) HTTSMN1; SMN2CTBP2ALDH1A1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250051296-A1 MODULATORS OF MYOCYTE LIPID ACCUMULATION AND INSULIN RESISTANCE AND METHODS OF USE THEREOF THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2025-02-13 US disclosed
US-12103917-B2 Modulators of myocyte lipid accumulation and insulin resistance and methods of use thereof THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2024-10-01 US disclosed
US-20210300882-A1 MODULATORS OF MYOCYTE LIPID ACCUMULATION AND INSULIN RESISTANCE AND METHODS OF USE THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2021-09-30 US disclosed
US-11028061-B2 Modulators of myocyte lipid accumulation and insulin resistance and methods of use thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2021-06-08 US disclosed
US-20180222874-A1 MODULATORS OF MYOCYTE LIPID ACCUMULATION AND INSULIN RESISTANCE AND METHODS OF USE THEREOF Sanford Bumham Prebys Medical Discovery Imstitute (US) 2018-08-09 US disclosed
WO-2017019772-A1 MODULATORS OF MYOCYTE LIPID ACCUMULATION AND INSULIN RESISTANCE AND METHODS OF USE THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2017-02-02 WO disclosed
US-20140135339-A1 MACROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES PFIZER INC. (US) 2014-05-15 US disclosed
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-04-07 US disclosed
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-04-07 US disclosed
WO-2011038293-A1 CYCLIC PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-03-31 WO disclosed
US-7645903-B2 immunoglobulins; affinity chromatography GE HEALTHCARE BIO-SCIENCES AB (SE) 2010-01-12 US disclosed
US-20090138208-A1 IMMUNOGLOBULIN G BINDING POCKET GE HEALTHCARE BIO-SCIENCES AB (SE) 2009-05-28 US disclosed
US-20060014735-A1 Use of urea variants as affinity ligands CYTIVA BIOPROCESS R&D AB (SE) 2006-01-19 US disclosed
WO-2004039843-A1 IMMUNOGLOBULIN G BINDING POCKET AMERSHAM BIOSCIENCES AB (SE) 2004-05-13 WO disclosed
WO-2004039765-A1 USE OF UREA VARIANTS AS AFFINITY LIGANDS AMERSHAM BIOSCIENCES AB (SE) 2004-05-13 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-20250051296-A1 MODULATORS OF MYOCYTE LIPID ACCUMULATION AND INSULIN RESISTANCE AND METHODS OF USE THEREOF MYC, MYCBP, MLYCD HTT 3617/4885GSK3B 444/4885SMN1; SMN2 205/4885
US-20060014735-A1 Use of urea variants as affinity ligands IGLV6-57, FCGR2A, FCGR3B HTT 3281/4885GSK3B 3027/4885SMN1; SMN2 4731/4885
US-20210300882-A1 MODULATORS OF MYOCYTE LIPID ACCUMULATION AND INSULIN RESISTANCE AND METHODS OF USE THEREOF MYC, MYCBP, MLYCD HTT 3617/4885GSK3B 444/4885SMN1; SMN2 205/4885
US-20140135339-A1 MACROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES ALK, ETV6, EML4 HTT 1023/4885GSK3B 203/4885SMN1; SMN2 2434/4885
US-20180222874-A1 MODULATORS OF MYOCYTE LIPID ACCUMULATION AND INSULIN RESISTANCE AND METHODS OF USE THEREOF MYC, MYCBP, MLYCD HTT 3617/4885GSK3B 444/4885SMN1; SMN2 205/4885
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, EIF4A2 HTT 4717/4885GSK3B 2109/4885SMN1; SMN2 3157/4885
US-11028061-B2 Modulators of myocyte lipid accumulation and insulin resistance and methods of use thereof MYC, MYCBP, MLYCD HTT 3617/4885GSK3B 444/4885SMN1; SMN2 205/4885
US-12103917-B2 Modulators of myocyte lipid accumulation and insulin resistance and methods of use thereof MYC, MYCBP, MLYCD HTT 3617/4885GSK3B 444/4885SMN1; SMN2 205/4885

“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.