SCHEMBL5616127

SCHEMBL5616127

CS(=O)(=O)Nc1ccc(CNC(=O)c2cc(C(=O)NCc3ccc(F)c(Cl)c3)ncn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 5/20 0.58
▸ MMP10 P09238 1/20 0.48
▸ MMP9 P14780 1/20 0.48
▸ MMP8 P22894 1/20 0.48
▸ EPHX2 P34913 2/20 0.47
▸ NR1H4 Q96RI1 2/20 0.47
▸ CNR2 P34972 1/20 0.46
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ PKM P14618 1/20 0.44
▸ HDAC3 O15379 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ S1PR1 P21453 1/20 0.42
▸ POLB P06746 1/20 0.42

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
SCHEMBL14602319 0.88 MMP13 (0.54) MMP13MMP10MMP9MMP8CNR2
SCHEMBL6479481 0.87 MMP13 (0.71) MMP13MMP10MMP9MMP8CNR2
SCHEMBL14256100 0.84 MMP13 (0.65) MMP13MMP10MMP9MMP8CNR2
SCHEMBL8357429 0.83 MMP13 (0.71) MMP13MMP10MMP9MMP8HDAC3
SCHEMBL8357432 0.83 MMP13 (0.67) MMP13MMP10MMP9MMP8CNR2
SCHEMBL8349489 0.82 MMP13 (0.62) MMP13MMP10MMP9MMP8HDAC3
SCHEMBL14448540 0.82 MMP13 (0.65) MMP13MMP10MMP9MMP8CNR2
SCHEMBL8360133 0.82 MMP13 (0.62) MMP13MMP10MMP9MMP8MEN1
SCHEMBL14284141 0.81 MMP13 (0.65) MMP13MMP10MMP9MMP8CNR2
SCHEMBL8348434 0.80 MMP13 (0.62) MMP13MMP10MMP9MMP8CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166609-B2 Pyrimidine-4,6-dicarboxylic acid diamides for selectively inhibiting collagenases SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-01-23 — — US claimed
US-20040167120-A1 Novel Pyrimidine-4,6-dicarboxylic acid diamides for selectively inhibiting collagenases AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-08-26 — — US claimed
US-7166609-B2 Pyrimidine-4,6-dicarboxylic acid diamides for selectively inhibiting collagenases SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-01-23 — — US disclosed
US-7166609-B2 Pyrimidine-4,6-dicarboxylic acid diamides for selectively inhibiting collagenases SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-01-23 — — US disclosed
US-7166609-B2 Pyrimidine-4,6-dicarboxylic acid diamides for selectively inhibiting collagenases SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-01-23 — — US disclosed
US-20040167120-A1 Novel Pyrimidine-4,6-dicarboxylic acid diamides for selectively inhibiting collagenases AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-08-26 — — 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-20040167120-A1 Novel Pyrimidine-4,6-dicarboxylic acid diamides for selectively inhibiting collagenases MMP13, DPYD, MMP1 MMP13 1/4885MMP10 15/4885MMP9 8/4885

“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.

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