SCHEMBL2249666

SCHEMBL2249666

COC(=O)c1cc(CBr)n(C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.39
MMP13 P45452 1/20 0.39
MMP14 P50281 1/20 0.39
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 2/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
BAZ2B Q9UIF8 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL15771676 0.85 MMP2 (0.40) MMP2MMP13MMP14MAPTTP53
SCHEMBL9197577 0.85 MMP2 (0.43) MMP2MMP13MMP14MAPTTP53
SCHEMBL7703560 0.84 MPO (0.47) MMP2MMP13MMP14MAPTTP53
SCHEMBL20521439 0.83 MEN1 (0.40) MMP2MMP13MMP14MAPTMAPK1
SCHEMBL29160016 0.80 MMP2 (0.37) MMP2MMP13MMP14MAPTMAPK1
SCHEMBL24014904 0.78 KMT2A (0.40) MMP2MMP13MMP14MAPK1KMT2A
SCHEMBL21604008 0.78 MMP2 (0.37) MMP2MMP13MMP14MAPTTP53
SCHEMBL1875633 0.78 MMP2 (0.38) MMP2MMP13MMP14MAPTMAPK1
SCHEMBL1314210 0.77 MAPT (0.41) MMP2MMP13MMP14MAPTTP53
SCHEMBL20373396 0.77 MMP2 (0.38) MMP2MMP13MMP14MAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858918-B2 GLP-1R modulating compounds GILEAD SCIENCES, INC. (US) 2024-01-02 US disclosed
US-11858918-B2 GLP-1R modulating compounds GILEAD SCIENCES, INC. (US) 2024-01-02 US disclosed
CN-117295729-A Carboxy-benzimidazole GLP-1R modulating compounds 吉利德科学公司 2023-12-26 CN disclosed
CN-117279905-A Carboxy-benzimidazole GLP-1R modulating compounds 吉利德科学公司 2023-12-22 CN disclosed
EP-4289838-A2 ARYLMETHOXY ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME Celgene Corporation (US) 2023-12-13 EP disclosed
EP-4271672-A1 CARBOXY-BENZIMIDAZOLE GLP-1R MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2023-11-08 EP disclosed
EP-4271674-A1 CARBOXY-BENZIMIDAZOLE GLP-1R MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2023-11-08 EP disclosed
EP-3599236-B1 ARYLMETHOXY ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORP (US) 2023-08-23 EP disclosed
US-20230021705-A1 GLP-1R MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2023-01-26 US disclosed
US-20220411402-A1 ARYLMETHOXY ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION 2022-12-29 US disclosed
EP-2928890-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY Chiesi Farmaceutici S.p.A. (IT) 2015-10-14 EP disclosed
US-20150139916-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2015-05-21 US disclosed
US-8980913-B2 Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2015-03-17 US disclosed
WO-2014086927-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2014-06-12 WO disclosed
US-20140163066-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2014-06-12 US disclosed
US-20130324518-A1 ARYLMETHOXY ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION (US) 2013-12-05 US disclosed
US-8518972-B2 Arylmethoxy isoindoline derivatives and compositions comprising and methods of using the same CELGENE CORPORATION (US) 2013-08-27 US disclosed
EP-2536706-A1 ARYLMETHOXY ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME Celgene Corporation (US) 2012-12-26 EP disclosed
WO-2011100380-A1 ARYLMETHOXY ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION (US) 2011-08-18 WO disclosed
US-20110196150-A1 Arylmethoxy Isoindoline Derivatives and Compositions Comprising and Methods of Using the Same CELGENE CORPORATION 2011-08-11 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 (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-20140163066-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2B MMP2 2048/4885MMP13 2752/4885MMP14 3749/4885
US-20130324518-A1 ARYLMETHOXY ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CYP3A7, CYP3A4, CYP3A43 MMP2 2830/4885MMP13 4034/4885MMP14 3870/4885
US-20230021705-A1 GLP-1R MODULATING COMPOUNDS GLP1R, GIPR, GPR119 MMP2 2770/4885MMP13 2658/4885MMP14 4166/4885
US-20110196150-A1 Arylmethoxy Isoindoline Derivatives and Compositions Comprising and Methods of Using the Same CYP3A7, CYP3A4, CYP3A43 MMP2 2830/4885MMP13 4034/4885MMP14 3870/4885
US-20220411402-A1 ARYLMETHOXY ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CYP3A7, CYP3A4, CYP3A43 MMP2 2830/4885MMP13 4034/4885MMP14 3870/4885
US-11858918-B2 GLP-1R modulating compounds GLP1R, GIPR, GPR119 MMP2 2770/4885MMP13 2658/4885MMP14 4166/4885
US-20150139916-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2B MMP2 2048/4885MMP13 2752/4885MMP14 3749/4885

“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.