SCHEMBL3611080

SCHEMBL3611080

CCOC(=O)/C=C/c1ccc(Oc2ccc(F)cc2)nc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
MAOB P27338 2/20 0.49
KDM4E B2RXH2 2/20 0.48
FDPS P14324 1/20 0.47
POLB P06746 1/20 0.47
TTR P02766 1/20 0.47
DPP4 P27487 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
EGFR P00533 1/20 0.45
ERBB2 P04626 1/20 0.45

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
SCHEMBL3611084 1.00 ALDH1A1 (0.58) ALDH1A1L3MBTL1CA12CA1CA2
SCHEMBL6337568 0.86 CA12 (0.63) ALDH1A1CA12CA1CA2CA7
SCHEMBL3147305 0.84 CA12 (0.52) ALDH1A1L3MBTL1CA12CA1CA2
SCHEMBL3147310 0.84 CA12 (0.52) ALDH1A1L3MBTL1CA12CA1CA2
SCHEMBL3618167 0.83 ALDH1A1 (0.65) ALDH1A1L3MBTL1MAOBKDM4ENPC1
SCHEMBL3618165 0.83 ALDH1A1 (0.65) ALDH1A1L3MBTL1MAOBKDM4ENPC1
SCHEMBL386528 0.81 CA12 (0.73) CA12CA1CA2CA7CA9
SCHEMBL386527 0.81 CA12 (0.73) CA12CA1CA2CA7CA9
SCHEMBL3134922 0.81 HSPB1 (0.53) ALDH1A1L3MBTL1CA12CA1CA2
SCHEMBL3134912 0.81 HSPB1 (0.53) ALDH1A1L3MBTL1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304438-B2 Heteroarylacrylamides and their use as pharmaceuticals SANOFI (FR) 2012-11-06 US disclosed
US-20100016272-A1 HETEROARYLACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2010-01-21 US disclosed
EP-2099753-A2 HETEROARYLACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2009-09-16 EP disclosed
EP-1939180-A1 Heteroarylacrylamides and their use as pharmaceuticals for the stimulation of the expression of endothelial NO synthase sanofi-aventis (FR) 2008-07-02 EP disclosed
WO-2008074413-A2 HETEROARYLACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS FOR THE STIMULATION OF THE EXPRESSION OF ENDOTHELIAL NO SYNTHASE SANOFI-AVENTIS (FR) 2008-06-26 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 (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-20100016272-A1 HETEROARYLACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS NOS3, PTGIS, NOS1 ALDH1A1 2657/4885L3MBTL1 3440/4885CA12 4776/4885

“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.