SCHEMBL3777535

SCHEMBL3777535

C[C@H](NC(=O)c1cccc(NC(=O)c2ccccc2I)c1)c1cccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.52
KCNK3 O14649 1/20 0.50
KCNK9 Q9NPC2 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL3764346 1.00 PTGES (0.52) PTGESKCNK3KCNK9MEN1KMT2A
SCHEMBL3766322 0.88 KCNK3 (0.56) KCNK3KCNK9
SCHEMBL3776657 0.88 KCNK3 (0.56) KCNK3KCNK9
SCHEMBL3779790 0.87 MEN1 (0.55) PTGESKCNK3KCNK9MEN1KMT2A
SCHEMBL3770521 0.87 F2R (0.55) PTGESKCNK3KCNK9MEN1KMT2A
SCHEMBL3770507 0.87 PTGES (0.66) PTGESKCNK3KCNK9MEN1KMT2A
SCHEMBL3768793 0.87 PTGES (0.66) PTGESKCNK3KCNK9MEN1KMT2A
SCHEMBL3777602 0.87 F2R (0.55) PTGESKCNK3KCNK9MEN1KMT2A
SCHEMBL3771456 0.87 MEN1 (0.55) PTGESKCNK3KCNK9MEN1KMT2A
SCHEMBL3770498 0.85 KMT2A (0.64) KCNK3KCNK9MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324086-A1 COMPOUNDS AND METHODS NOVASAID AB (SE) 2010-12-23 US claimed
US-20100324086-A1 COMPOUNDS AND METHODS NOVASAID AB (SE) 2010-12-23 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-20100324086-A1 COMPOUNDS AND METHODS IL1B, LITAF, CYP11B1 PTGES 54/4885KCNK3 1692/4885KCNK9 1283/4885

“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.