SCHEMBL6735704

SCHEMBL6735704

CC(C)(C)OC(=O)N1C(COCc2nc3ccccc3s2)COC1(C)C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.45
LMNA P02545 1/20 0.41
RAB9A P51151 2/20 0.40
HTT P42858 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
BRD4 O60885 1/20 0.39
MAPT P10636 4/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
GPR119 Q8TDV5 2/20 0.38
NPC1 O15118 1/20 0.38
F2 P00734 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL1834020 0.81 MAPT (0.46) CYP1A2CYP2C19LMNARAB9AHTT
SCHEMBL1834024 0.81 MAPT (0.46) CYP1A2CYP2C19LMNARAB9AHTT
SCHEMBL3606682 0.81 MAPT (0.46) CYP1A2CYP2C19LMNARAB9AHTT
SCHEMBL1760391 0.81 ALDH1A1 (0.38) KMT2ALMNAHTTL3MBTL1BRD4
SCHEMBL3619842 0.81 ALDH1A1 (0.38) KMT2ALMNAHTTL3MBTL1BRD4
SCHEMBL1760389 0.81 ALDH1A1 (0.38) KMT2ALMNAHTTL3MBTL1BRD4
SCHEMBL16545983 0.80 SPHK1 (0.41) KMT2ALMNABRD4GPR119
SCHEMBL17819587 0.80 SPHK1 (0.41) KMT2ALMNABRD4GPR119
SCHEMBL6732088 0.76 GPR119 (0.40) CYP1A2CYP2C19RAB9ABRD4TSHR
SCHEMBL1834016 0.75 GPR119 (0.40) CYP1A2CYP2C19RAB9ABRD4TSHR

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 CYP1A2 248/4885CYP2C19 321/4885KMT2A 2456/4885

“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.