SCHEMBL1177007

SCHEMBL1177007

CC(C)C1CC(=O)C(Br)C(=O)C1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
HCAR2 Q8TDS4 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
SCHEMBL1089769 0.73
SCHEMBL1177125 0.70 CRBN (0.43)
SCHEMBL14867426 0.70 HCAR2 (0.35) HCAR2
SCHEMBL1047817 0.69 MAPT (0.41) NOS3NOS1NOS2HCAR2
SCHEMBL16253822 0.68 NOS3 (0.31) NOS3NOS1NOS2
SCHEMBL14867427 0.67 KDM4E (0.35) HCAR2
SCHEMBL19419764 0.67 TLR4 (0.39) NOS3NOS1NOS2
SCHEMBL20608621 0.67 CA1 (0.38) NOS3NOS1NOS2
SCHEMBL812088 0.67 CA1 (0.38) NOS3NOS1NOS2
Water SCHEMBL8470623 0.67 MAPT (0.39) NOS3NOS1NOS2HCAR2

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
EP-1881827-B1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2011-09-28 EP disclosed
US-7888344-B2 Fused thiazole derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2011-02-15 US disclosed
US-20080306060-A1 Fused Thiazole Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2008-12-11 US disclosed
EP-1881827-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2008-01-30 EP disclosed
WO-2006114606-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2006-11-02 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-20080306060-A1 Fused Thiazole Derivatives as Kinase Inhibitors MAP4K2, PDPK1, DAPK2 NOS3 2419/4885NOS1 2767/4885NOS2 2916/4885

“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.