Sugi Predict

Sugi Predict / Compounds / SCHEMBL328383

SCHEMBL328383

SCHEMBL328383

COc1cccc(Oc2c(F)cc(C)cc2F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ MAOB P27338 4/20 0.44
▸ NFE2L2 Q16236 3/20 0.44
▸ RAPGEF4 Q8WZA2 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ F2 P00734 1/20 0.41
▸ F10 P00742 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ BRCA1 P38398 1/20 0.41
▸ HBB P68871 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
SCHEMBL778774 0.86 MAOB (0.44) SMN1; SMN2MAOBALDH1A1MAPTNPSR1
SCHEMBL15596859 0.84 SMN1; SMN2 (0.46) ACHESMN1; SMN2MAOBNFE2L2ALDH1A1
SCHEMBL257605 0.84 ACHE (0.47) ACHESMN1; SMN2NFE2L2RAPGEF4ALDH1A1
SCHEMBL14997970 0.81 SMN1; SMN2 (0.47) ACHESMN1; SMN2MAOBNFE2L2ALDH1A1
SCHEMBL778762 0.81 LTA4H (0.44) SMN1; SMN2MAOBALDH1A1CA1CA2
SCHEMBL19766700 0.81 MAPT (0.58) ACHESMN1; SMN2MAOBNFE2L2ALDH1A1
SCHEMBL779089 0.79 ACHE (0.53) ACHESMN1; SMN2MAOBNFE2L2ALDH1A1
SCHEMBL13604921 0.77 AKR1C3 (0.45) SMN1; SMN2MAOBALDH1A1MAPTKDM4E
SCHEMBL27956871 0.76 EGFR (0.42) MAPTF10MEN1KMT2A
SCHEMBL30053231 0.76 SMN1; SMN2 (0.72) ACHESMN1; SMN2MAOBALDH1A1CA1

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
WO-2014028334-A1 SELECTIVE MMP INHIBITORS SYMPHONY EVOLUTION, INC. (US) 2014-02-20 — — WO 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-20120071653-A1 Human Adam-10 Inhibitors SYMPHONY EVOLUTION, INC. (US) 2012-03-22 — — US disclosed
EP-2428509-A1 Human adam-10 inhibitors Symphony Evolution, Inc. (US) 2012-03-14 — — EP 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 173/4885SMN1; SMN2 3734/4885MAOB 247/4885
US-20120071653-A1 Human Adam-10 Inhibitors ADAM10, MMP20, ADAM9 ACHE 1239/4885SMN1; SMN2 3277/4885MAOB 1811/4885
US-20100105953-A1 Human Adam-10 Inhibitors ADAM10, MMP20, ADAM9 ACHE 1239/4885SMN1; SMN2 3277/4885MAOB 1811/4885
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 293/4885SMN1; SMN2 3456/4885MAOB 391/4885
US-20090220514-A1 ADAM10 and its Uses Related to Infection ADAM10, ADAM12, ADAM17 ACHE 2856/4885SMN1; SMN2 4470/4885MAOB 4608/4885
US-20140206865-A1 Human Adam-10 Inhibitors ADAM10, MMP20, ADAM9 ACHE 1239/4885SMN1; SMN2 3277/4885MAOB 1811/4885
US-20130144056-A1 Human Adam-10 Inhibitors ADAM10, MMP20, ADAM9 ACHE 1239/4885SMN1; SMN2 3277/4885MAOB 1811/4885

“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.