SCHEMBL6094909

SCHEMBL6094909

CC(=O)N1CCN(c2nc(C(=O)NCc3ccc(F)c(C)c3)c(O)c(=O)n2C)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 5/20 0.44
KCNE1 P15382 1/20 0.41
CCR1 P32246 1/20 0.41
KCNQ1 P51787 1/20 0.41
ENPP2 Q13822 7/20 0.39
KCNH2 Q12809 1/20 0.39
CYP2C9 P11712 1/20 0.39
PIK3CD O00329 1/20 0.38
AOC3 Q16853 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MMP10 P09238 1/20 0.37
MMP8 P22894 1/20 0.37

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
SCHEMBL6094944 0.91 MMP13 (0.42) MMP13KCNE1CCR1KCNQ1KCNH2
SCHEMBL6093967 0.91 MMP13 (0.47) MMP13KCNE1CCR1KCNQ1KCNH2
SCHEMBL6094684 0.89 MMP13 (0.41) MMP13KCNE1CCR1KCNQ1KCNH2
SCHEMBL6095046 0.89 MMP13 (0.43) MMP13KCNE1CCR1KCNQ1KCNH2
SCHEMBL6094922 0.89 MMP13 (0.43) MMP13KCNE1CCR1KCNQ1ALDH1A1
SCHEMBL6094065 0.89 MMP13 (0.45) MMP13KCNE1CCR1KCNQ1ENPP2
SCHEMBL6095011 0.88 MMP13 (0.44) MMP13KCNE1CCR1KCNQ1KCNH2
SCHEMBL6094348 0.88 MMP13 (0.44) MMP13KCNE1CCR1KCNQ1KCNH2
SCHEMBL6093733 0.88 SOS1 (0.47) MMP13KCNE1CCR1KCNQ1KCNH2
SCHEMBL6094768 0.88 KCNE1 (0.49) KCNE1CCR1KCNQ1ENPP2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7135467-B2 Pyrimidine carboxamides; 5-hydroxy-2-(2-(1,1-Dioxo-6-[1,2]thiazinan-2-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamides; AIDS; AIDS related complex BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-14 US claimed
US-20040204498-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US claimed
US-7135467-B2 Pyrimidine carboxamides; 5-hydroxy-2-(2-(1,1-Dioxo-6-[1,2]thiazinan-2-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamides; AIDS; AIDS related complex BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-14 US disclosed
US-20040204498-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 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-20040204498-A1 HIV integrase inhibitors IMPDH1, TYMP, REV1 MMP13 4367/4885KCNE1 3935/4885CCR1 660/4885

“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.