SCHEMBL15099893

SCHEMBL15099893

C=C(C(=O)CC(=O)OC)C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
GAA P10253 2/20 0.44
MGAM O43451 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
TSHR P16473 4/20 0.42
TET2 Q6N021 1/20 0.41
HSD17B10 Q99714 2/20 0.39
HSP90AB1 P08238 1/20 0.33
LMNA P02545 3/20 0.32
TP53 P04637 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
KDM4E B2RXH2 2/20 0.31
CA12 O43570 1/20 0.31

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
SCHEMBL27508659 0.81 ALDH1A1 (0.50) ALDH1A1GAAMGAMSIMGAM2
SCHEMBL322476 0.79 GAA (0.52) ALDH1A1GAAMGAMSIMGAM2
SCHEMBL6294006 0.78 ALDH1A1 (0.46) ALDH1A1TSHRTET2HSD17B10EGLN1
SCHEMBL13299923 0.77 MGAM (0.41) ALDH1A1GAAMGAMSIMGAM2
SCHEMBL9175497 0.77 GAA (0.50) ALDH1A1GAAMGAMSIMGAM2
SCHEMBL9177427 0.77 GAA (0.50) ALDH1A1GAAMGAMSIMGAM2
SCHEMBL14222839 0.76 ALDH1A1 (0.44) ALDH1A1TSHRTET2HSD17B10EGLN1
SCHEMBL15100438 0.76 ALDH1A1 (0.44) ALDH1A1TSHRTET2EGLN1
SCHEMBL28328761 0.76 TSHR (0.44) ALDH1A1TSHRTET2HSD17B10EGLN1
SCHEMBL40660 0.76 ALDH1A1 (0.61) ALDH1A1GAAMGAMSIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8901124-B2 Pyridazine amide compounds useful as SYK inhibitors HOFFMANN-LA ROCHE INC. (US) 2014-12-02 US disclosed
US-20130178478-A1 PYRIDAZINE AMIDE COMPOUNDS HOFFMAN-LA ROCHE INC. (US) 2013-07-11 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 (1 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-20130178478-A1 PYRIDAZINE AMIDE COMPOUNDS SYK, BTK, IRAK2 ALDH1A1 3705/4885GAA 2403/4885MGAM 3343/4885

“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.