SCHEMBL779089

SCHEMBL779089

COc1cccc(Oc2ccc(C)cc2F)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.53
MAPT P10636 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
AR P10275 1/20 0.46
MAOB P27338 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 4/20 0.43
GAA P10253 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NFE2L2 Q16236 1/20 0.41
MAPK14 Q16539 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41

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
SCHEMBL27115313 0.88 ALDH1A1 (0.54) ACHEL3MBTL1ARSMN1; SMN2ALDH1A1
SCHEMBL22114122 0.88 ACHE (0.45) ACHEMAPTARSMN1; SMN2ALDH1A1
SCHEMBL10269152 0.85 SLC6A2 (0.55) ACHEMAPTL3MBTL1ARALDH1A1
SCHEMBL328387 0.85 MAPK14 (0.54) MAPTL3MBTL1NPSR1KDM4EPOLB
SCHEMBL22199016 0.84 ACHE (0.50) ACHEMAPTL3MBTL1ARSMN1; SMN2
SCHEMBL11855895 0.83 ACHE (0.57) ACHEMAPTL3MBTL1NPSR1KDM4E
SCHEMBL328382 0.82 SLC6A4 (0.45) SMN1; SMN2ALDH1A1GAASLC6A2SLC6A4
SCHEMBL14959583 0.82 MAPT (0.48) ACHEMAPTL3MBTL1NPSR1KDM4E
SCHEMBL27115325 0.80 CYP3A4 (0.43) MAPTL3MBTL1NPSR1ARALDH1A1
SCHEMBL11990101 0.80 MAOB (0.48) MAPTL3MBTL1NPSR1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140206865-A1 Human Adam-10 Inhibitors SYMPHONY EVOLUTION, INC. (US) 2014-07-24 US disclosed
US-20140206865-A1 Human Adam-10 Inhibitors SYMPHONY EVOLUTION, INC. (US) 2014-07-24 US disclosed
US-20130144056-A1 Human Adam-10 Inhibitors SYMPHONY EVOLUTION, INC. (US) 2013-06-06 US disclosed
US-20130144056-A1 Human Adam-10 Inhibitors SYMPHONY EVOLUTION, INC. (US) 2013-06-06 US disclosed
US-20120270884-A1 Methods of Treating Aneurysmal Dilatation, Blood Vessel Wall Weakness and Specifically Abdominal Aortic and Thoracic Aneurysm Using Matrix Metalloprotease-2 Inhibitors SYMPHONY EVOLUTION, INC. (US) 2012-10-25 US disclosed
US-20120270884-A1 Methods of Treating Aneurysmal Dilatation, Blood Vessel Wall Weakness and Specifically Abdominal Aortic and Thoracic Aneurysm Using Matrix Metalloprotease-2 Inhibitors SYMPHONY EVOLUTION, INC. (US) 2012-10-25 US disclosed
US-8247451-B2 ADAM10 and its uses related to infection VANDERBILT UNIVERSITY (US) 2012-08-21 US disclosed
EP-2436676-A1 Human adam-10 inhibitors Symphony Evolution, Inc. (US) 2012-04-04 EP disclosed
US-20120071653-A1 Human Adam-10 Inhibitors SYMPHONY EVOLUTION, INC. (US) 2012-03-22 US disclosed
US-7989661-B2 Human ADAM-10 inhibitors SYMPHONY EVOLUTION, INC. (US) 2011-08-02 US disclosed
US-20110082114-A1 Methods of Treating Aneurysmal Dilatation, Blood Vessel Wall Weakness and Specifically Abdominal Aortic and Thoracic Aneurysm Using Matrix Metalloprotease-2 Inhibitors SYMPHONY EVOLUTION, INC. (US) 2011-04-07 US disclosed
US-20100105953-A1 Human Adam-10 Inhibitors SYMPHONY EVOLUTION, INC. (US) 2010-04-29 US disclosed
US-7629341-B2 e.g. N1-hydroxy-N2-[(4-phenoxyphenyl)sulfonyl]-D-argininamide; metallopeptidase inhibitor; antiinflammation, anticarcinogenic, antidiabetic agent; angiogenesis inhibitor; atherosclerosis, stroke, ulcer, infertility, scleroderma, endometriosis, mesothelioma SYMPHONY EVOLUTION, INC. (US) 2009-12-08 US disclosed
US-20090220514-A1 ADAM10 and its Uses Related to Infection VANDERBILT UNIVERSITY 2009-09-03 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-20120270884-A1 Methods of Treating Aneurysmal Dilatation, Blood Vessel Wall Weakness and Specifically Abdominal Aortic and Thoracic Aneurysm Using Matrix Metalloprotease-2 Inhibitors ADAM10, ADAM17, ADAM12 ACHE 173/4885MAPT 3137/4885L3MBTL1 3889/4885
US-20120071653-A1 Human Adam-10 Inhibitors ADAM10, MMP20, ADAM9 ACHE 1239/4885MAPT 3130/4885L3MBTL1 3825/4885
US-20100105953-A1 Human Adam-10 Inhibitors ADAM10, MMP20, ADAM9 ACHE 1239/4885MAPT 3130/4885L3MBTL1 3825/4885
US-20110082114-A1 Methods of Treating Aneurysmal Dilatation, Blood Vessel Wall Weakness and Specifically Abdominal Aortic and Thoracic Aneurysm Using Matrix Metalloprotease-2 Inhibitors ADAM10, ADAM17, ADAM12 ACHE 293/4885MAPT 2971/4885L3MBTL1 4405/4885
US-20090220514-A1 ADAM10 and its Uses Related to Infection ADAM10, ADAM12, ADAM17 ACHE 2856/4885MAPT 3451/4885L3MBTL1 1241/4885
US-20140206865-A1 Human Adam-10 Inhibitors ADAM10, MMP20, ADAM9 ACHE 1239/4885MAPT 3130/4885L3MBTL1 3825/4885
US-20130144056-A1 Human Adam-10 Inhibitors ADAM10, MMP20, ADAM9 ACHE 1239/4885MAPT 3130/4885L3MBTL1 3825/4885

“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.