SCHEMBL20065147

SCHEMBL20065147

CCOC(=O)/C=C/c1cccc(C)c1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
TTR P02766 1/20 0.46
DPP4 P27487 1/20 0.46
ESR1 P03372 1/20 0.45
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
CYP3A4 P08684 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42
MAOB P27338 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL28567922 0.88 PTGS2 (0.50) CA12CA1CA2CA7CA9
SCHEMBL28567920 0.88 PTGS2 (0.50) CA12CA1CA2CA7CA9
SCHEMBL31065933 0.87 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL18198103 0.85 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL30671373 0.85 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL18191212 0.85 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL2556139 0.84 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL2556145 0.84 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL1897277 0.84 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL1897276 0.84 CA12 (0.54) CA12CA1CA2CA7CA9

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-20180105529-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2018-04-19 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-20180105529-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS ZC3HAV1, MAVS, TYMP CA12 4848/4885CA1 4882/4885CA2 4583/4885

“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.