SCHEMBL6296207

SCHEMBL6296207

COc1cc(CC#Cc2cc3c(=O)n(Cc4ccc(S(C)(=O)=O)cc4)cnc3cn2)ccn1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 17/20 0.53
SLC22A8 Q8TCC7 1/20 0.40
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
ROCK2 O75116 1/20 0.37
HSD17B13 Q7Z5P4 1/20 0.36

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
SCHEMBL6297484 0.88 MMP13 (0.58) MMP13SLC22A8HDAC3HDAC4HDAC1
SCHEMBL6297383 0.88 MMP13 (0.51) MMP13SLC22A8HSD17B13
SCHEMBL6296011 0.87 MMP13 (0.69) MMP13SLC22A8HDAC3HDAC4HDAC1
SCHEMBL6296263 0.87 MMP13 (0.60) MMP13HDAC3HDAC4HDAC1HDAC7
SCHEMBL6302439 0.87 MMP13 (0.52) MMP13SLC22A8HDAC3HDAC4HDAC1
SCHEMBL6297489 0.86 MMP13 (0.53) MMP13SLC22A8ROCK2
SCHEMBL6302707 0.85 MMP13 (0.51) MMP13HSD17B13
SCHEMBL6296055 0.85 MMP13 (0.52) MMP13HSD17B13
SCHEMBL6302425 0.84 MMP13 (0.56) MMP13HDAC3HDAC4HDAC1HDAC7
SCHEMBL6297365 0.84 MMP13 (0.51) MMP13SLC22A8HSD17B13

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
US-6894057-B2 Oxo-azabicyclic compounds WARNER-LAMBERT COMPANY (US) 2005-05-17 US disclosed
US-6747147-B2 INHIBITORS OF TYPE-13 MATRIX METTALOPROTEASE. RHEUMATOID ARTHRITIS OR OSTEOARTHRITIS, AS WELL AS CERTAIN PROLIFERATIVE CONDITIONS SUCH AS CANCERS, PARTICULARLY HUMAN BREAST CANCER WARNER-LAMBERT COMPANY 2004-06-08 US disclosed
US-20030220355-A1 Oxo-azabicyclic compounds GAUDILLIERE BERNARD (FR) 2003-11-27 US disclosed
US-20030216402-A1 Oxo-azabicyclic compounds GAUDILLIERE BERNARD (FR) 2003-11-20 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 (2 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-20030216402-A1 Oxo-azabicyclic compounds MMP13, CYP2A13, XDH MMP13 1/4885SLC22A8 953/4885HDAC3 154/4885
US-20030220355-A1 Oxo-azabicyclic compounds MMP13, CYP2A13, CA13 MMP13 1/4885SLC22A8 1032/4885HDAC3 108/4885

“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.