SCHEMBL721863

SCHEMBL721863

CC/C(=C\c1ccc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.41
EPHX2 P34913 3/20 0.36
PPARG P37231 1/20 0.36
SYK P43405 1/20 0.35
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
ESR1 P03372 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
HCAR3 P49019 2/20 0.32
PDPK1 O15530 1/20 0.32
USP30 Q70CQ3 1/20 0.31
LTB4R Q15722 1/20 0.31
LTB4R2 Q9NPC1 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
SCHEMBL721864 1.00 TBXAS1 (0.41) TBXAS1EPHX2PPARGSYKPSEN1
SCHEMBL6451691 0.80 KDM4E (0.36) SYKKDM4ENPC1MAPTRAB9A
SCHEMBL476557 0.79 P4HTM (0.48) TBXAS1ESR1KDM4ENPC1RAB9A
SCHEMBL476517 0.79 P4HTM (0.48) TBXAS1ESR1KDM4ENPC1RAB9A
SCHEMBL27211201 0.77 RAB9A (0.40) SYKKDM4ENPC1MAPTRAB9A
SCHEMBL1579325 0.76 TBXAS1 (0.41) TBXAS1EPHX2PPARGPSEN1PSEN2
SCHEMBL21143163 0.75 NR1H2 (0.42) SYKESR1KDM4ENPC1RAB9A
SCHEMBL12742316 0.75 SYK (0.40) SYKKDM4ENPC1MAPTRAB9A
SCHEMBL721862 0.75 CA12 (0.49) TBXAS1SYKNPC1RAB9A
SCHEMBL1770925 0.73 HCAR3 (0.50) PPARGKDM4EMAPTHCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120053209-A1 ANTICANCER COMPOUNDS, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-01 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-20120053209-A1 ANTICANCER COMPOUNDS, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF NAMPT, NQO1, NADK TBXAS1 2623/4885EPHX2 2970/4885PPARG 721/4885

“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.