SCHEMBL5539446

SCHEMBL5539446

Cc1cc(CNC(=O)c2nc3n(c(=O)c2O)CC(=O)N2CCCCN32)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 8/20 0.44
CYP2C9 P11712 1/20 0.44
KCNH2 Q12809 1/20 0.42
CALCA P06881 4/20 0.39
MMP10 P09238 3/20 0.37
MMP8 P22894 3/20 0.37
LMNA P02545 2/20 0.37
MMP9 P14780 1/20 0.37
TP53 P04637 1/20 0.37
KCNE1 P15382 1/20 0.36
CCR1 P32246 1/20 0.36
KCNQ1 P51787 1/20 0.36

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
SCHEMBL5538200 0.98 MMP13 (0.44) MMP13CYP2C9KCNH2CALCAMMP10
SCHEMBL5547436 0.87 MMP13 (0.47) MMP13CYP2C9KCNH2MMP10MMP8
SCHEMBL5648524 0.87 CYP2C9 (0.54) CYP2C9KCNH2CALCALMNAKCNE1
SCHEMBL5537207 0.86 MMP13 (0.46) MMP13CYP2C9KCNH2MMP10MMP8
SCHEMBL5539266 0.85 KCNH2 (0.51) CYP2C9KCNH2CALCALMNAKCNE1
SCHEMBL5534072 0.82 MMP13 (0.42) MMP13CYP2C9KCNH2CALCAMMP10
SCHEMBL4390352 0.82 MMP13 (0.47) MMP13CYP2C9KCNH2CALCAMMP10
SCHEMBL5532098 0.82 MMP13 (0.45) MMP13CYP2C9KCNH2CALCAMMP10
SCHEMBL4392369 0.80 MMP13 (0.45) MMP13CYP2C9KCNH2CALCAMMP10
SCHEMBL5533074 0.80 GAA (0.50) MMP13CYP2C9KCNH2MMP10MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1753767-A1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-02-21 EP claimed
WO-2005118589-A1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-15 WO claimed
US-20050267132-A1 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-12-01 US claimed
US-7192948-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-20 US disclosed
US-7192948-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-20 US disclosed
US-7192948-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-20 US disclosed
US-20050267132-A1 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-12-01 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-20050267132-A1 Bicyclic heterocycles as HIV integrase inhibitors CCNI, TOP1, APOBEC3C MMP13 4087/4885CYP2C9 237/4885KCNH2 3080/4885

“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.