SCHEMBL6736458

SCHEMBL6736458

C#Cc1ccc(OC)cc1.OBO

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.50
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA12 O43570 1/20 0.48
CA14 Q9ULX7 1/20 0.48
ACHE P22303 1/20 0.41
LTA4H P09960 1/20 0.40
ESR2 Q92731 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
ENPP2 Q13822 1/20 0.40
ELANE P08246 1/20 0.40
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KCNH2 Q12809 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
SCHEMBL187127 0.91 CA1 (0.58) APPCA1CA2CA7CA9
SCHEMBL31403396 0.89 CA1 (0.55) APPCA1CA2CA7CA9
SCHEMBL30998827 0.89 CA1 (0.55) APPCA1CA2CA7CA9
SCHEMBL30998823 0.89 CA1 (0.55) APPCA1CA2CA7CA9
SCHEMBL30998834 0.89 CA1 (0.55) APPCA1CA2CA7CA9
SCHEMBL4552830 0.84 LTA4H (0.54) APPCA1CA2CA7CA9
SCHEMBL709673 0.84 APP (0.63) APPCA1CA2CA7CA9
1,4-Dimethoxybenzene SCHEMBL4957328 0.81 CA1 (0.73) CA1CA2CA7CA9CA12
SCHEMBL10370252 0.79 PKM (0.47) APPCA1CA2CA7CA9
SCHEMBL2601885 0.79 RELA (0.59)

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-20040142975-A1 Beta disubstituted metalloprotease inhibitors THE PROCTER &GAMBLE COMPANY 2004-07-22 US disclosed
US-6696456-B1 CARBOCYCLIC ACIDS AND SALTS SUCH AS (2S,3R)-3-ETHYLSULFANYL-2-(4'-FLUORO-BIPHENYL-4-SULFONYLAMINO)-3- PHENYLPROPIONIC ACID, USED AS METALLOENZYME ANTAGONISTS FOR THE PROPHYLAXIS OF DEGENERATIVE JOINT DISEASE AND AS WOUND HEALING AGENTS THE PROCTER & GAMBLE COMPANY 2004-02-24 US disclosed
EP-1224171-A1 BETA DISUBSTITUTED METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2002-07-24 EP disclosed
WO-2001027084-A1 BETA DISUBSTITUTED METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2001-04-19 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-20040142975-A1 Beta disubstituted metalloprotease inhibitors ADAM17, ADAM9, SI APP 597/4885CA1 493/4885CA2 427/4885

“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.