SCHEMBL2995156

SCHEMBL2995156

CC(ONC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.55
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA9 Q16790 2/20 0.55
ATM Q13315 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CTSK P43235 2/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SLC1A3 P43003 1/20 0.48
SLC1A1 P43005 1/20 0.48
ELANE P08246 1/20 0.48
CTRB1 P17538 2/20 0.48
CTSL P07711 1/20 0.47
CTSS P25774 1/20 0.47
POLB P06746 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL13241408 1.00 CA12 (0.55) CA12CA1CA2CA9ATM
SCHEMBL9104883 0.87 CA12 (0.58) CA12CA1CA2CA9ATM
SCHEMBL26871984 0.85 CA12 (0.52) CA12CA1CA2CA9ATM
SCHEMBL24307662 0.85 CA12 (0.52) CA12CA1CA2CA9ATM
SCHEMBL24308344 0.85 CTSK (0.48) NPC1RAB9AALDH1A1CTSKLMNA
SCHEMBL24308338 0.82 HSP90AA1 (0.58) CTSKCTSLCTSS
SCHEMBL26030816 0.82 HSP90AA1 (0.58) CTSKCTSLCTSS
SCHEMBL24307917 0.80 CA12 (0.54) CA12CA1CA2CA9NPC1
SCHEMBL24307990 0.80 SRR (0.57) CA12CA1CA2CA9CTSK
SCHEMBL24307955 0.80 SRR (0.57) CA12CA1CA2CA9CTSK

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-20100189798-A1 CONTROL OF ERWINIA AMYLOVORA WITH VINYLGLYCINES AND BACTERIA THAT PRODUCE VINYLGLYCINES THE STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF 2010-07-29 US disclosed
US-20100093536-A1 CONTROL OF GRASSY WEEDS WITH VINYLGLYCINES AND VINYLGLYCINE-PRODUCING ORGANISMS THE STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER 2010-04-15 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-20100093536-A1 CONTROL OF GRASSY WEEDS WITH VINYLGLYCINES AND VINYLGLYCINE-PRODUCING ORGANISMS GLO1, AGXT, GMDS CA12 2144/4885CA1 1963/4885CA2 1754/4885
US-20100189798-A1 CONTROL OF ERWINIA AMYLOVORA WITH VINYLGLYCINES AND BACTERIA THAT PRODUCE VINYLGLYCINES GLO1, MGAM, AGL CA12 3638/4885CA1 4510/4885CA2 3827/4885

“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.