SCHEMBL5616136

SCHEMBL5616136

Cc1cc(CNC(=O)c2cc(C(=O)NCc3ccc(C(=O)NCCO)cc3)ncn2)ccc1F

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 9/20 0.78
▸ MMP10 P09238 2/20 0.68
▸ MMP8 P22894 2/20 0.68
▸ MMP9 P14780 1/20 0.68
▸ NR1H4 Q96RI1 3/20 0.43
▸ HDAC1 Q13547 3/20 0.43
▸ KDM1A O60341 1/20 0.43
▸ EPHX2 P34913 1/20 0.42
▸ HDAC3 O15379 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ LMNA P02545 1/20 0.41

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
SCHEMBL8350613 0.94 MMP13 (0.88) MMP13MMP10MMP8MMP9HDAC1
SCHEMBL5616139 0.89 MMP13 (0.78) MMP13MMP10MMP8MMP9LMNA
SCHEMBL5615881 0.89 MMP13 (0.82) MMP13MMP10MMP8MMP9HDAC1
SCHEMBL8358823 0.89 MMP13 (1.00) MMP13MMP10MMP8MMP9HDAC1
SCHEMBL29838134 0.89 MMP13 (1.00) MMP13MMP10MMP8MMP9HDAC1
SCHEMBL5615610 0.88 MMP13 (0.77) MMP13MMP10MMP8MMP9NR1H4
SCHEMBL15647278 0.88 MMP13 (0.86) MMP13MMP10MMP8MMP9NR1H4
SCHEMBL4717299 0.86 MMP13 (0.73) MMP13MMP10MMP8MMP9NR1H4
SCHEMBL4715755 0.86 MMP13 (0.67) MMP13MMP10MMP8MMP9
SCHEMBL8357428 0.86 MMP13 (0.90) MMP13MMP10MMP8MMP9

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 15/4885MMP8 52/4885

“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.

Send feedback