SCHEMBL4044857

SCHEMBL4044857

COc1ccc(CC(N)C(=O)N2CCC3C2C(=O)CN3S(=O)(=O)Cc2cccnc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.43
DPP8 Q6V1X1 3/20 0.43
DPP9 Q86TI2 3/20 0.43
DPP7 Q9UHL4 3/20 0.43
FAP Q12884 2/20 0.43
SLC18A3 Q16572 1/20 0.38
KCNA5 P22460 1/20 0.38
CXCR3 P49682 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
FPR1 P21462 1/20 0.37
FPR2 P25090 1/20 0.37
FKBP1A P62942 2/20 0.37
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
MMP7 P09237 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
KMT2A Q03164 1/20 0.37
MGLL Q99685 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
SCHEMBL4043887 0.91 DPP4 (0.46) DPP4DPP8DPP9DPP7FAP
SCHEMBL4040220 0.90 DPP4 (0.41) DPP4DPP8DPP9DPP7FAP
SCHEMBL4041279 0.89 DPP4 (0.44) DPP4DPP8DPP9DPP7FAP
SCHEMBL4038231 0.87 SMYD3 (0.39) DPP4DPP8DPP9DPP7FKBP1A
SCHEMBL4044930 0.86 DPP4 (0.38) DPP4DPP8DPP9DPP7FAP
SCHEMBL4043420 0.86 SMYD3 (0.39) FKBP1A
SCHEMBL4038911 0.86 DPP4 (0.43) DPP4DPP8DPP9DPP7FAP
SCHEMBL4044950 0.85 DPP4 (0.39) DPP4FKBP1A
SCHEMBL4045457 0.85 FKBP1A (0.39) FKBP1A
SCHEMBL4043904 0.85 DPP4 (0.44) DPP4DPP8DPP9DPP7FAP

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
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US claimed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 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-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS DPP4 3448/4885DPP8 947/4885DPP9 1045/4885

“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.