SCHEMBL3771065

SCHEMBL3771065

C[C@@H](NC(=O)c1cccc(NC(=O)c2ccccc2C(F)(F)F)c1)c1cccc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 4/20 0.58
KCNK9 Q9NPC2 4/20 0.58
F2R P25116 1/20 0.53
PTGS1 P23219 1/20 0.52
PTGES O14684 2/20 0.52
HDAC3 O15379 1/20 0.51
CYP2C9 P11712 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
RXFP1 Q9HBX9 1/20 0.48

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
SCHEMBL3772371 1.00 KCNK3 (0.58) KCNK3KCNK9F2RPTGS1PTGES
SCHEMBL3779790 0.87 MEN1 (0.55) KCNK3KCNK9F2RPTGES
SCHEMBL3771456 0.87 MEN1 (0.55) KCNK3KCNK9F2RPTGES
SCHEMBL3766322 0.85 KCNK3 (0.56) KCNK3KCNK9
SCHEMBL3776657 0.85 KCNK3 (0.56) KCNK3KCNK9
SCHEMBL3764435 0.85 RHOC (0.55) KCNK3KCNK9PTGS1HDAC3CYP2C9
SCHEMBL3771503 0.85 RHOC (0.55) KCNK3KCNK9PTGS1HDAC3CYP2C9
SCHEMBL3777602 0.85 F2R (0.55) KCNK3KCNK9F2RPTGES
SCHEMBL3777535 0.85 PTGES (0.52) KCNK3KCNK9PTGES
SCHEMBL3770507 0.85 PTGES (0.66) KCNK3KCNK9F2RPTGES

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 3 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
WO-2009103778-A1 COMPOUNDS AND METHODS NOVASAID AB (SE) 2009-08-27 WO 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 KCNK3 1692/4885KCNK9 1283/4885F2R 875/4885

“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.