SCHEMBL6806879

SCHEMBL6806879

CNC(C(=O)O)C(C)(C)c1cccc(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 4/20 0.45
HDAC1 Q13547 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC2 Q92769 1/20 0.40
EDNRB P24530 1/20 0.40
EDNRA P25101 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
CETP P11597 1/20 0.37
KCNH2 Q12809 1/20 0.37
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
MTOR P42345 1/20 0.36

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
SCHEMBL6806880 1.00 KCNN4 (0.45) KCNN4HDAC1HDAC6HDAC3HDAC2
SCHEMBL22111294 0.87 CNR1 (0.49) KCNN4HDAC1HDAC6HDAC3HDAC2
SCHEMBL6805659 0.85 SMN1; SMN2 (0.47) HTTRAB9AKDM4ECES2
SCHEMBL6805664 0.85 SMN1; SMN2 (0.47) HTTRAB9AKDM4ECES2
SCHEMBL6670756 0.84 KIF11 (0.46) HDAC6EDNRBEDNRACNR1CNR2
SCHEMBL6670753 0.84 KIF11 (0.46) HDAC6EDNRBEDNRACNR1CNR2
SCHEMBL6809621 0.84 SLC6A3 (0.39) CETPKCNH2NPC1HTTRAB9A
SCHEMBL6809623 0.84 SLC6A3 (0.39) CETPKCNH2NPC1HTTRAB9A
SCHEMBL6805401 0.83 KIF11 (0.42) KDM4E
SCHEMBL6805400 0.83 KIF11 (0.42) KDM4E

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-20040121965-A1 Method of treating resistant tumors WYETH HOLDINGS CORPORATION (US) 2004-06-24 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-20040121965-A1 Method of treating resistant tumors SLC11A2, VHL, REN KCNN4 2537/4885HDAC1 265/4885HDAC6 227/4885

“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.