Sugi Predict

Sugi Predict / Compounds / SCHEMBL4977529

SCHEMBL4977529

SCHEMBL4977529

CC(=C(C#N)C#N)c1ccc2cc(NCCCOS(=O)(=O)c3ccc(C)cc3)ccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.40
▸ STAT3 P40763 2/20 0.39
▸ SNCA P37840 2/20 0.39
▸ APP P05067 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CA1 P00915 3/20 0.38
▸ CA9 Q16790 3/20 0.38
▸ CA12 O43570 2/20 0.38
▸ PSMD10 O75832 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ALOX12 P18054 1/20 0.34
▸ CTDSP1 Q9GZU7 1/20 0.34
▸ SIRT5 Q9NXA8 1/20 0.34
▸ ENPP1 P22413 3/20 0.33
▸ CA2 P00918 2/20 0.33
▸ ENPP3 O14638 1/20 0.33

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
SCHEMBL4907472 0.78 APP (0.59) ENPP2STAT3SNCAAPPMAPT
SCHEMBL17254448 0.77 MAPT (0.44) SNCAAPPMAPTALDH1A1MEN1
SCHEMBL17254449 0.77 MAPT (0.49) SNCAAPPMAPTALDH1A1MEN1
SCHEMBL3468916 0.77 MAPT (0.55) SNCAAPPMAPTALDH1A1MEN1
SCHEMBL951328 0.77 APP (0.49) SNCAAPPMAPTALDH1A1GAA
SCHEMBL2954485 0.74 RORC (0.43) STAT3MAPTCA1CA12ALDH1A1
SCHEMBL19852804 0.71 MAPT (0.48) SNCAAPPMAPTCA1CA9
SCHEMBL15596831 0.68 MAPT (0.54) SNCAAPPMAPTALDH1A1MEN1
SCHEMBL19922524 0.67 MAPT (0.49) STAT3MAPTPSMD10ALDH1A1GAA
SCHEMBL13020909 0.66 ALDH1A1 (0.46) STAT3MAPTCA1CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7341709-B2 Compositions for labeling β-amyloid plaques and neurofibrillary tangles REGENTS OF UNIVERSITY OF CALIFORNIA (US) 2008-03-11 — — US disclosed
US-20070053831-A1 Methods for binding agents to b-amyloid plaques THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2007-03-08 — — US disclosed
US-20040072371-A1 Compositions for labeling beta-amyloid plaques and neurofibrillary tangles REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE 2004-04-15 — — US disclosed
US-6660530-B2 Diagnosis of Alzheimer's disease THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-12-09 — — US disclosed
US-20020022002-A1 Methods for labeling beta-amyloid plaques and neurofibrillary tangles THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-02-21 — — US disclosed
US-6274119-B1 LABELING .BETA.-AMYLOID PLAQUES AND NEUROFIBRILLARY TANGLES IN VIVO AND IN VITRO, COMPRISES CONTACTING RADIOLABELED AMINONAPTHALENE DERIVATIVE WITH MAMMALIAN TISSUE THE REGENTS OF THE UNIV. OF CALIFORNIA 2001-08-14 — — 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 (3 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-20020022002-A1 Methods for labeling beta-amyloid plaques and neurofibrillary tangles OXSR1, MSR1, CBR1 ENPP2 2951/4885STAT3 4804/4885SNCA 98/4885
US-20070053831-A1 Methods for binding agents to b-amyloid plaques APBA1, CLTB, FABP7 ENPP2 1116/4885STAT3 4855/4885SNCA 174/4885
US-20040072371-A1 Compositions for labeling beta-amyloid plaques and neurofibrillary tangles CBR1, CBR3, MSR1 ENPP2 3175/4885STAT3 4837/4885SNCA 93/4885

“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.