SCHEMBL4380375

SCHEMBL4380375

N#Cc1cc(CON=C2CCN(S(=O)(=O)c3ccc(NC4CC4)nc3)CC2)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 13/20 0.45
CCNA2 P20248 3/20 0.40
CDK2 P24941 3/20 0.40
CCNK O75909 1/20 0.40
CDK12 Q9NYV4 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RORC P51449 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL4383813 0.82 RORC (0.43) KDM4EALDH1A1RORCSMN1; SMN2
SCHEMBL4384886 0.81 PKM (0.38) CCR6KDM4EALDH1A1SMN1; SMN2
SCHEMBL4395449 0.81 CCR6 (0.49) CCR6CCNA2CDK2CCNKCDK12
SCHEMBL4381060 0.81 TP53 (0.37) CCR6KDM4EALDH1A1RORCCYP2C19
SCHEMBL4385274 0.80 PKM (0.41) ALDH1A1RORCCYP2C19SMN1; SMN2
SCHEMBL4382701 0.79 PKM (0.47) KDM4EALDH1A1SMN1; SMN2
SCHEMBL4385346 0.77 MEN1 (0.43) RORCCYP2C19SMN1; SMN2
SCHEMBL4383060 0.77 NAMPT (0.41) KDM4EALDH1A1SMN1; SMN2
SCHEMBL4383772 0.75 ATM (0.42) ALDH1A1RORCSMN1; SMN2
SCHEMBL4395456 0.75 TYMS (0.41) KDM4EALDH1A1CYP2C19SMN1; SMN2

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-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 US disclosed
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 US disclosed
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 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-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF KCNN4, CACNA1A, KCNN3 CCR6 2413/4885CCNA2 2430/4885CDK2 1229/4885

“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.