SCHEMBL6825112

SCHEMBL6825112

O=C(O)c1ccc(SCF)c(C2CCN(C(=O)OCc3ccccc3)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
CYP2C19 P33261 1/20 0.49
JAK2 O60674 4/20 0.44
JAK1 P23458 4/20 0.44
TYK2 P29597 3/20 0.44
JAK3 P52333 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GRIN2B Q13224 7/20 0.43
HTT P42858 1/20 0.43
USP30 Q70CQ3 1/20 0.43
CYP2D6 P10635 4/20 0.42
CYP2C9 P11712 4/20 0.42
PDE4B Q07343 1/20 0.42
CYP3A4 P08684 3/20 0.41
GPR119 Q8TDV5 1/20 0.41
TRPC3 Q13507 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
SCHEMBL1763180 0.80 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL7838902 0.78 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19JAK2
SCHEMBL7675701 0.77 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19JAK2
SCHEMBL7669575 0.76 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19JAK2
SCHEMBL6604329 0.75 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL6613095 0.74 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ACYP2C19JAK2
SCHEMBL7666242 0.74 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19JAK2
SCHEMBL5806087 0.73 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9ACYP2C19JAK2
SCHEMBL3657468 0.73 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19JAK2
SCHEMBL4025215 0.73 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9ACYP2C19JAK2

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-20040058916-A1 Compounds ASTRAZENECA AB (SE) 2004-03-25 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-20040058916-A1 Compounds CYP11B2, CYP11B1, PCSK9 SMN1; SMN2 440/4885NPC1 6/4885RAB9A 1652/4885

“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.