SCHEMBL6833119

SCHEMBL6833119

O=C(OC(=O)C(F)(F)F)c1ccc(Cn2cnc3ccc(C#CCN4Cc5ccccc5C4)cc3c2=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 15/20 0.59
RECQL P46063 1/20 0.45
MAPK10 P53779 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39

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
SCHEMBL6833138 0.89 MMP13 (0.64) MMP13RECQLMAPK10SMN1; SMN2HDAC3
Trifluoroacetic Acid SCHEMBL6833117 0.89 MMP13 (0.71) MMP13
SCHEMBL6830143 0.89 MMP13 (0.76) MMP13RECQLMAPK10SMN1; SMN2HDAC3
SCHEMBL6830523 0.88 MMP13 (0.77) MMP13RECQLMAPK10SMN1; SMN2HDAC3
SCHEMBL6835871 0.87 MMP13 (0.77) MMP13
Trifluoroacetic Acid SCHEMBL6833136 0.78 MMP13 (0.76) MMP13
Trifluoroacetic Acid SCHEMBL6830140 0.78 MMP13 (0.90) MMP13
Trifluoroacetic Acid SCHEMBL6830520 0.76 MMP13 (0.90) MMP13
SCHEMBL6833795 0.76 MMP13 (0.78) MMP13RECQLMAPK10SMN1; SMN2HDAC3
SCHEMBL6835785 0.75 MMP13 (0.83) MMP13HDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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

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-20030220355-A1 Oxo-azabicyclic compounds MMP13, CYP2A13, CA13 MMP13 1/4885RECQL 1976/4885MAPK10 4136/4885

“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.