SCHEMBL552898

SCHEMBL552898

CC1(C)OB(c2cccc(CNC(=O)c3ccc(F)cc3)c2)OC1(C)C

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA9 Q16790 2/20 0.54
LPL P06858 1/20 0.46
LIPG Q9Y5X9 1/20 0.46
LMNA P02545 1/20 0.46
IDO1 P14902 1/20 0.45
NR1H4 Q96RI1 1/20 0.44
MLYCD O95822 1/20 0.44
KMT2A Q03164 1/20 0.43
CXCR2 P25025 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ACKR3 P25106 1/20 0.42
CXCR4 P61073 1/20 0.42

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
SCHEMBL17339414 0.82 MLYCD (0.54) CA1CA2CA9LMNAMLYCD
SCHEMBL31259610 0.82 HDAC2 (0.56) CA1CA2CA9LMNANR1H4
SCHEMBL12523750 0.81 LIPG (0.53) CA1CA2CA9LPLLIPG
SCHEMBL171732 0.81 LIPG (0.53) CA1CA2CA9LPLLIPG
SCHEMBL552988 0.81 ALDH1A1 (0.64) CA1CA2CA9LPLLIPG
SCHEMBL31414496 0.81 MLYCD (0.64) CA1CA2CA9LMNANR1H4
SCHEMBL2355046 0.80 CA2 (0.70) CA1CA2CA9LMNARAB9A
SCHEMBL3811462 0.80 MMP13 (0.62) CA1CA2CA9LMNA
SCHEMBL23732881 0.79 LIPG (0.51) CA1CA2CA9LPLLIPG
SCHEMBL3189084 0.79 LIPG (0.54) CA1CA2CA9LPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354406-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-01-15 US disclosed
US-20120035164-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-02-09 US disclosed
US-8063071-B2 Chemical compounds GlaxoSmithKline, LLC (US) 2011-11-22 US disclosed
US-20090143372-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2009-06-04 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-20120035164-A1 CHEMICAL COMPOUNDS IKBKG, NFKBIA, RELA CA1 4013/4885CA2 1816/4885CA9 4343/4885
US-20090143372-A1 CHEMICAL COMPOUNDS IKBKG, NFKBIA, RELA CA1 4013/4885CA2 1816/4885CA9 4343/4885

“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.