SCHEMBL3409916

SCHEMBL3409916

CCC/C(=C\N(C)C)C(=O)C(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.49
NPSR1 Q6W5P4 1/20 0.36
GLO1 Q04760 1/20 0.36
FAAH O00519 2/20 0.36
ALDH1A1 P00352 7/20 0.34
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
HPGD P15428 2/20 0.33
CYP2D6 P10635 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
DNM1 Q05193 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL3409920 1.00 CYP2C9 (0.49) CYP2C9NPSR1GLO1FAAHALDH1A1
SCHEMBL5901415 0.89 CYP2C9 (0.51) CYP2C9NPSR1GLO1FAAHALDH1A1
SCHEMBL5901419 0.89 CYP2C9 (0.51) CYP2C9NPSR1GLO1FAAHALDH1A1
SCHEMBL6820603 0.85 CYP2C9 (0.51) CYP2C9NPSR1GLO1ALDH1A1APOBEC3A
SCHEMBL6218422 0.85 CYP2C9 (0.51) CYP2C9NPSR1GLO1ALDH1A1APOBEC3A
SCHEMBL27929734 0.77 ATM (0.44) CYP2C9NPSR1ALDH1A1HPGDSMN1; SMN2
SCHEMBL6015034 0.77 CYP2C9 (0.55) CYP2C9NPSR1GLO1ALDH1A1CYP2D6
SCHEMBL15786135 0.77 CYP2C9 (0.55) CYP2C9NPSR1GLO1ALDH1A1CYP2D6
SCHEMBL1325598 0.77 CYP2C9 (0.55) CYP2C9NPSR1GLO1ALDH1A1CYP2D6
SCHEMBL17156138 0.76 CYP2C9 (0.37) CYP2C9ALDH1A1MEN1KMT2ATSHR

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-8962834-B2 Modulators of amyloid beta HOFFMANN-LA ROCHE INC. (US) 2015-02-24 US disclosed
EP-2257541-B1 MODULATORS FOR AMYLOID BETA HOFFMANN LA ROCHE (CH) 2013-08-14 EP disclosed
US-20130190302-A1 MODULATORS OF AMYLOID BETA HOFFMANN-LA ROCHE INC. (US) 2013-07-25 US disclosed
EP-2257541-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-12-08 EP disclosed
US-20090215759-A1 MODULATORS FOR AMYLOID BETA HOFFMANN-LA ROCHE, INC. 2009-08-27 US disclosed
WO-2009103652-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 WO 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-20090215759-A1 MODULATORS FOR AMYLOID BETA APP, PSEN1, APOB CYP2C9 4498/4885NPSR1 2307/4885GLO1 802/4885
US-20130190302-A1 MODULATORS OF AMYLOID BETA APP, PSEN1, APOB CYP2C9 4410/4885NPSR1 2513/4885GLO1 753/4885

“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.