SCHEMBL778934

SCHEMBL778934

Cc1cc(F)c(Oc2ccc(F)cc2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.42
PTGS2 P35354 2/20 0.41
PTGS1 P23219 1/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NFE2L2 Q16236 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 1/20 0.38
SOS1 Q07889 1/20 0.37
HSPB1 P04792 1/20 0.37
NQO2 P16083 1/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL778776 0.84 PTGDR2 (0.42) PTGS2PTGS1ALDH1A1SMN1; SMN2SLC6A4
SCHEMBL328393 0.84 MAPT (0.41) PTGS2PTGS1ALDH1A1SMN1; SMN2SLC6A2
SCHEMBL778762 0.83 LTA4H (0.44) PTGS1ALDH1A1SMN1; SMN2SLC6A2SLC6A4
SCHEMBL26186440 0.80 AR (0.39) ACHEPTGS2ALDH1A1SMN1; SMN2SLC6A2
SCHEMBL778940 0.80 AR (0.46) ALDH1A1SMN1; SMN2SLC6A4CYP1A2CYP2C19
SCHEMBL282465 0.79 MEN1 (0.46) ALDH1A1SMN1; SMN2CYP3A4SOS1HSPB1
SCHEMBL14959582 0.79 APP (0.40) PTGS2PTGS1ALDH1A1SLC6A2SLC6A4
SCHEMBL8354541 0.79 ALDH1A1 (0.40) PTGS2PTGS1ALDH1A1SMN1; SMN2SOS1
SCHEMBL13922732 0.79 LMNA (0.40) PTGS2PTGS1CYP1A2CYP2C19SOS1
SCHEMBL14997988 0.79 PTGS2 (0.35) PTGS2PTGS1ALDH1A1SMN1; SMN2SLC6A4

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-8247451-B2 ADAM10 and its uses related to infection VANDERBILT UNIVERSITY (US) 2012-08-21 US disclosed
US-8247451-B2 ADAM10 and its uses related to infection VANDERBILT UNIVERSITY (US) 2012-08-21 US 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
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 173/4885PTGS2 93/4885PTGS1 161/4885
US-20120071653-A1 Human Adam-10 Inhibitors ADAM10, MMP20, ADAM9 ACHE 1239/4885PTGS2 651/4885PTGS1 167/4885
US-20100105953-A1 Human Adam-10 Inhibitors ADAM10, MMP20, ADAM9 ACHE 1239/4885PTGS2 651/4885PTGS1 167/4885
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 293/4885PTGS2 64/4885PTGS1 102/4885
US-20090220514-A1 ADAM10 and its Uses Related to Infection ADAM10, ADAM12, ADAM17 ACHE 2856/4885PTGS2 4770/4885PTGS1 4474/4885
US-20140206865-A1 Human Adam-10 Inhibitors ADAM10, MMP20, ADAM9 ACHE 1239/4885PTGS2 651/4885PTGS1 167/4885
US-20130144056-A1 Human Adam-10 Inhibitors ADAM10, MMP20, ADAM9 ACHE 1239/4885PTGS2 651/4885PTGS1 167/4885

“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.