SCHEMBL6833138

SCHEMBL6833138

CN1CCN(CC#Cc2ccc3ncn(Cc4ccc(C(=O)OC(=O)C(F)(F)F)cc4)c(=O)c3c2)CC1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 15/20 0.64
PDPK1 O15530 3/20 0.43
RECQL P46063 1/20 0.43
MAPK10 P53779 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 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
SCHEMBL6830143 0.92 MMP13 (0.76) MMP13RECQLMAPK10SMN1; SMN2HDAC3
SCHEMBL6830523 0.91 MMP13 (0.77) MMP13RECQLMAPK10SMN1; SMN2HDAC3
SCHEMBL6833119 0.89 MMP13 (0.59) MMP13RECQLMAPK10SMN1; SMN2HDAC3
Trifluoroacetic Acid SCHEMBL6833136 0.89 MMP13 (0.76) MMP13PDPK1
SCHEMBL6835785 0.87 MMP13 (0.83) MMP13PDPK1HDAC3HDAC4HDAC1
Trifluoroacetic Acid SCHEMBL6830140 0.81 MMP13 (0.90) MMP13
SCHEMBL6833795 0.80 MMP13 (0.78) MMP13RECQLMAPK10SMN1; SMN2HDAC3
Trifluoroacetic Acid SCHEMBL6830520 0.79 MMP13 (0.90) MMP13
SCHEMBL6834151 0.78 MMP13 (1.00) MMP13
Trifluoroacetic Acid SCHEMBL6833117 0.78 MMP13 (0.71) MMP13

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 1/4885PDPK1 4624/4885RECQL 1976/4885

“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.