SCHEMBL6094040

SCHEMBL6094040

Cc1cc(CNC(=O)c2nc(N3CCN(CCOCCO)CC3)n(C)c(=O)c2O)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 10/20 0.41
MMP10 P09238 5/20 0.39
MMP8 P22894 5/20 0.39
HTR1A P08908 6/20 0.38
HTR7 P34969 5/20 0.38
KCNE1 P15382 1/20 0.38
CCR1 P32246 1/20 0.38
KCNQ1 P51787 1/20 0.38
KCNH2 Q12809 1/20 0.36
CYP2C9 P11712 1/20 0.36
POLB P06746 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
MMP9 P14780 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
SCHEMBL6094065 0.92 MMP13 (0.45) MMP13MMP10MMP8KCNE1CCR1
SCHEMBL6094728 0.89 KCNE1 (0.45) HTR1AHTR7KCNE1CCR1KCNQ1
SCHEMBL6095046 0.88 MMP13 (0.43) MMP13MMP10MMP8KCNE1CCR1
SCHEMBL6093967 0.86 MMP13 (0.47) MMP13MMP10MMP8KCNE1CCR1
SCHEMBL6094909 0.84 MMP13 (0.44) MMP13MMP10MMP8KCNE1CCR1
SCHEMBL6094922 0.83 MMP13 (0.43) MMP13HTR7KCNE1CCR1KCNQ1
SCHEMBL6094348 0.83 MMP13 (0.44) MMP13MMP10MMP8KCNE1CCR1
SCHEMBL6095011 0.83 MMP13 (0.44) MMP13KCNE1CCR1KCNQ1KCNH2
SCHEMBL6093733 0.83 SOS1 (0.47) MMP13MMP10MMP8KCNE1CCR1
SCHEMBL6096003 0.83 MMP13 (0.45) MMP13MMP10MMP8KCNE1CCR1

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-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 4367/4885MMP10 2766/4885MMP8 3612/4885

“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.