SCHEMBL5480170

SCHEMBL5480170

COC(C)(C)c1nc(C(=O)NCc2ccc(F)c(C)c2)c(O)c(=O)n1C

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 1/20 0.54
CCR1 P32246 1/20 0.54
KCNQ1 P51787 1/20 0.54
MMP13 P45452 8/20 0.46
MMP10 P09238 5/20 0.41
MMP8 P22894 5/20 0.41
TSHR P16473 1/20 0.39
SCD O00767 2/20 0.39
MMP9 P14780 1/20 0.38
PTPN7 P35236 1/20 0.38
DUSP3 P51452 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL5315124 0.87 KCNE1 (0.66) KCNE1CCR1KCNQ1TSHRMEN1
SCHEMBL6093967 0.78 MMP13 (0.47) KCNE1CCR1KCNQ1MMP13MMP10
SCHEMBL5314622 0.77 KCNE1 (0.67) KCNE1CCR1KCNQ1SCDMEN1
SCHEMBL6093853 0.76 MMP13 (0.47) KCNE1CCR1KCNQ1MMP13MMP10
SCHEMBL6095011 0.76 MMP13 (0.44) KCNE1CCR1KCNQ1MMP13
SCHEMBL6094348 0.76 MMP13 (0.44) KCNE1CCR1KCNQ1MMP13MMP10
SCHEMBL6093733 0.76 SOS1 (0.47) KCNE1CCR1KCNQ1MMP13MMP10
SCHEMBL6094664 0.75 MMP13 (0.46) KCNE1CCR1KCNQ1MMP13MMP10
SCHEMBL6094909 0.75 MMP13 (0.44) KCNE1CCR1KCNQ1MMP13MMP10
SCHEMBL4390352 0.75 MMP13 (0.47) KCNE1CCR1KCNQ1MMP13MMP10

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-20070129379-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-07 US claimed
WO-2007064619-A1 PYRIMIDINE DERIVATIVES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-07 WO disclosed
US-20070129379-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-07 US disclosed
US-20070129379-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-07 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-20070129379-A1 HIV INTEGRASE INHIBITORS TYMP, POLN, IMPDH1 KCNE1 4106/4885CCR1 959/4885KCNQ1 4001/4885

“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.