SCHEMBL6765847

SCHEMBL6765847

COc1ccc(CC#Cc2ccc3c(c2)C(=O)N(Cc2ccc(Cl)cc2)C3)cc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 12/20 0.46
TNF P01375 8/20 0.45
PARP1 P09874 1/20 0.43
MMP13 P45452 1/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 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
SCHEMBL6765068 0.82 MMP13 (0.45) MMP13
SCHEMBL8347364 0.82 ADAM17 (0.48) ADAM17DRD2DRD4
SCHEMBL6442206 0.81 ADAM17 (0.56) ADAM17TNFPARP1
SCHEMBL31039229 0.79 ADAM17 (0.45) ADAM17TNFPARP1
SCHEMBL14991264 0.77 GAA (0.47) ADAM17
SCHEMBL21768166 0.77 ADAM17 (0.48) ADAM17DRD2DRD4
SCHEMBL20773874 0.76 PARK7 (0.50) ADAM17TNF
SCHEMBL31039203 0.76 ADAM17 (0.46) ADAM17TNF
SCHEMBL31298892 0.76 KDM4E (0.47) ADAM17TNF
SCHEMBL29507053 0.76 PARK7 (0.50) ADAM17TNF

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-20040038973-A1 Treating osteoarthritis or rheumatoid arthritis NAHRA JOE (US) 2004-02-26 US claimed
WO-2004014365-A1 PHTHALIMIDE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO claimed
US-20040038973-A1 Treating osteoarthritis or rheumatoid arthritis NAHRA JOE (US) 2004-02-26 US disclosed
WO-2004014365-A1 PHTHALIMIDE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 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-20040038973-A1 Treating osteoarthritis or rheumatoid arthritis MMP13, MMP11, MMP9 ADAM17 67/4885TNF 53/4885PARP1 991/4885

“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.