SCHEMBL7035704

SCHEMBL7035704

Cn1c(=O)n(Cc2ccc(C(=O)O)cc2)c(=O)c2cc(C#CCc3ccc(Cl)cc3)sc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.57
SLC22A8 Q8TCC7 1/20 0.57
HDAC1 Q13547 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
P2RX3 P56373 2/20 0.41
MAPK8 P45983 1/20 0.40
MTHFD2 P13995 1/20 0.38
TRPA1 O75762 1/20 0.37
POLB P06746 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
NR4A1 P22736 1/20 0.37
APEX1 P27695 1/20 0.37
APOBEC3A P31941 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
SCHEMBL6916594 0.92 MMP13 (0.57) MMP13SLC22A8HDAC1HDAC8HDAC6
SCHEMBL7038900 0.91 MMP13 (0.56) MMP13SLC22A8HDAC1HDAC8HDAC6
SCHEMBL7035439 0.91 MMP13 (0.56) MMP13SLC22A8HDAC1HDAC8HDAC6
SCHEMBL7032036 0.91 MMP13 (0.56) MMP13SLC22A8HDAC1HDAC8HDAC6
SCHEMBL7035761 0.91 MMP13 (0.55) MMP13SLC22A8HDAC1HDAC8HDAC6
SCHEMBL6727824 0.90 MMP13 (0.51) MMP13SLC22A8MAPK8TRPA1ALDH1A1
SCHEMBL7038292 0.90 MMP13 (0.54) MMP13SLC22A8HDAC1HDAC8HDAC6
SCHEMBL7036328 0.90 MMP13 (0.54) MMP13SLC22A8HDAC1HDAC8HDAC6
SCHEMBL7037445 0.88 MMP13 (0.53) MMP13SLC22A8POLBMEN1MAPT
SCHEMBL6471037 0.87 MMP13 (0.56) MMP13SLC22A8HDAC1HDAC8HDAC6

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-1370562-A1 THIENO[2,3-D]PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-12-17 EP claimed
US-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 US claimed
WO-2002064598-A1 THIENO'2,3-D PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO claimed
US-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 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-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors MMP13, MMP3, MMP25 MMP13 1/4885SLC22A8 605/4885HDAC1 91/4885

“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.