SCHEMBL6364204

SCHEMBL6364204

COc1ccc(CNC(=O)c2cc3c(=O)n(Cc4ccc(C(=O)OS(C)(=O)=O)cc4)cnc3cn2)cc1

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 18/20 0.79
SLC22A8 Q8TCC7 1/20 0.79
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48

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
SCHEMBL6364201 0.90 MMP13 (0.93) MMP13SLC22A8
SCHEMBL6438774 0.88 MMP13 (0.78) MMP13SLC22A8
SCHEMBL6273591 0.88 MMP13 (1.00) MMP13SLC22A8
SCHEMBL6358328 0.88 MMP13 (0.80) MMP13SLC22A8HDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL6359859 0.88 MMP13 (0.98) MMP13SLC22A8
SCHEMBL6363042 0.87 MMP13 (0.90) MMP13SLC22A8
SCHEMBL6359429 0.84 MMP13 (0.85) MMP13SLC22A8
SCHEMBL5696975 0.81 MMP13 (0.74) MMP13SLC22A8
SCHEMBL6268968 0.80 MMP13 (1.00) MMP13SLC22A8
SCHEMBL6360104 0.80 MMP13 (0.81) MMP13SLC22A8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050085447-A1 Pyrido[3,4-d]pyrimidine derivatives as matrix metalloproteinase-13 inhibitors WARNER-LAMBERT COMPANY LLC 2005-04-21 US disclosed
WO-2005016926-A1 PYRIDO [3,4-D] PYRIMIDINE DERIVATIVES AS MATRIX METALLOPROTEINASE-13 INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2005-02-24 WO 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-20050085447-A1 Pyrido[3,4-d]pyrimidine derivatives as matrix metalloproteinase-13 inhibitors MMP13, MMP9, MMP3 MMP13 1/4885SLC22A8 2982/4885HDAC3 1057/4885

“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.