Sugi Predict

Sugi Predict / Compounds / SCHEMBL714719

SCHEMBL714719

SCHEMBL714719

COc1ccc(C(OCC[N+](C)(C)CCCCCC(=O)Oc2ccc([N+](=O)[O-])cc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BCL9 O00512 1/20 0.44
▸ CTNNB1 P35222 1/20 0.44
▸ EGFR P00533 3/20 0.43
▸ ERBB2 P04626 3/20 0.43
▸ GAA P10253 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.38
▸ SLC6A1 P30531 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ SLC6A11 P48066 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ TDP1 Q9NUW8 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
SCHEMBL3921913 0.89 BCL9 (0.51) BCL9CTNNB1EGFRERBB2GAA
SCHEMBL716445 0.84 SLC6A11 (0.43) ALDH1A1SLC6A1SMN1; SMN2SLC6A11MEN1
SCHEMBL14402010 0.83 BCL9 (0.37) BCL9CTNNB1EGFRERBB2ALDH1A1
SCHEMBL10022828 0.82 PDE4B (0.45) ALDH1A1SLC6A1SMN1; SMN2SLC6A11MEN1
SCHEMBL8052842 0.80 MGLL (0.45) BCL9CTNNB1EGFRERBB2GAA
SCHEMBL14356125 0.80 BCL9 (0.49) BCL9CTNNB1GAAALDH1A1SMN1; SMN2
SCHEMBL10022832 0.78 BCL9 (0.58) BCL9CTNNB1EGFRERBB2GAA
SCHEMBL29518072 0.77 MAPT (0.44) EGFRERBB2GAAALDH1A1SMN1; SMN2
SCHEMBL10022827 0.77 BCL9 (0.51) BCL9CTNNB1EGFRERBB2GAA
SCHEMBL715782 0.77 BCL9 (0.51) BCL9CTNNB1EGFRERBB2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436138-B2 Binder for C-reactive protein MODPRO AB (SE) 2013-05-07 — — US disclosed
US-8436138-B2 Binder for C-reactive protein MODPRO AB (SE) 2013-05-07 — — US disclosed
US-8436138-B2 Binder for C-reactive protein MODPRO AB (SE) 2013-05-07 — — US disclosed
US-20120053124-A1 BINDER FOR C-REACTIVE PROTEIN MODPRO AB (SE) 2012-03-01 — — US disclosed
US-20120053124-A1 BINDER FOR C-REACTIVE PROTEIN MODPRO AB (SE) 2012-03-01 — — US disclosed
US-8017347-B2 Binder for C-reactive protein MODPRO AB (SE) 2011-09-13 — — US disclosed
US-8017347-B2 Binder for C-reactive protein MODPRO AB (SE) 2011-09-13 — — US disclosed
US-20090305298-A1 Binder for C-Reactive Protein MODPRO AB (SE) 2009-12-10 — — US disclosed
US-20090305298-A1 Binder for C-Reactive Protein MODPRO AB (SE) 2009-12-10 — — 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 (2 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-20090305298-A1 Binder for C-Reactive Protein C1QBP, RBP1, MYCBP BCL9 1156/4885CTNNB1 3067/4885EGFR 4537/4885
US-20120053124-A1 BINDER FOR C-REACTIVE PROTEIN C1QBP, RBP1, MYCBP BCL9 1156/4885CTNNB1 3067/4885EGFR 4537/4885

“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.