SCHEMBL6735701

SCHEMBL6735701

COC(c1nc2ccccc2s1)C1COC(C)(C)N1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.40
RAB9A P51151 2/20 0.39
BRD4 O60885 1/20 0.38
ALOX5 P09917 1/20 0.38
NPC1 O15118 1/20 0.36
PAX8 Q06710 1/20 0.36
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
PKM P14618 1/20 0.35
ALDH1A1 P00352 1/20 0.34
SPHK1 Q9NYA1 1/20 0.34
SLC6A4 P31645 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ACKR3 P25106 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
SCHEMBL6732088 0.90 GPR119 (0.40) GPR119RAB9ABRD4ALOX5NPC1
SCHEMBL1834016 0.89 GPR119 (0.40) GPR119RAB9ABRD4ALOX5NPC1
SCHEMBL3606681 0.89 GPR119 (0.40) GPR119RAB9ABRD4ALOX5NPC1
SCHEMBL1834024 0.75 MAPT (0.46) RAB9AALOX5NPC1GAATSHR
SCHEMBL3606682 0.75 MAPT (0.46) RAB9AALOX5NPC1GAATSHR
SCHEMBL1834020 0.75 MAPT (0.46) RAB9AALOX5NPC1GAATSHR
SCHEMBL6735704 0.75 CYP1A2 (0.46) GPR119RAB9ABRD4NPC1TSHR
SCHEMBL1760389 0.74 ALDH1A1 (0.38) GPR119BRD4PAX8ALDH1A1SPHK1
SCHEMBL3619842 0.74 ALDH1A1 (0.38) GPR119BRD4PAX8ALDH1A1SPHK1
SCHEMBL1760391 0.74 ALDH1A1 (0.38) GPR119BRD4PAX8ALDH1A1SPHK1

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 1736/4885RAB9A 1018/4885BRD4 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.