SCHEMBL6732088

SCHEMBL6732088

CC(C)(C)OC(=O)N1C(C(O)c2nc3ccccc3s2)COC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.40
ALOX5 P09917 1/20 0.38
BRD4 O60885 1/20 0.38
RAB9A P51151 2/20 0.38
HPGD P15428 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PAX8 Q06710 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
APEX1 P27695 1/20 0.35
SPHK1 Q9NYA1 1/20 0.35
NPC1 O15118 1/20 0.34
ACKR3 P25106 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
F2 P00734 1/20 0.34

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
SCHEMBL3606681 0.90 GPR119 (0.40) GPR119ALOX5BRD4RAB9AHPGD
SCHEMBL6735701 0.90 GPR119 (0.40) GPR119ALOX5BRD4RAB9AHPGD
SCHEMBL1834016 0.90 GPR119 (0.40) GPR119ALOX5BRD4RAB9AHPGD
SCHEMBL6736498 0.78 SPHK1 (0.38) GPR119BRD4SPHK1NPC1
SCHEMBL6741524 0.78 SPHK1 (0.38) GPR119BRD4SPHK1NPC1
SCHEMBL31153932 0.77 SPHK1 (0.36) BRD4SPHK1
SCHEMBL31536534 0.77 SPHK1 (0.36) BRD4SPHK1
SCHEMBL4412431 0.77 L3MBTL1 (0.46) GPR119ALOX5RAB9AHPGDCYP1A2
SCHEMBL20263034 0.77 GPR119 (0.40) GPR119BRD4CYP2C9HIF1ATSHR
SCHEMBL20263037 0.77 GPR119 (0.40) GPR119BRD4CYP2C9HIF1ATSHR

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 GPR119 1736/4885ALOX5 622/4885BRD4 2561/4885

“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.