SCHEMBL6733665

SCHEMBL6733665

Cc1ccc(CO[C@H](c2nccs2)C2COC(C)(C)N2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.35
SPHK1 Q9NYA1 1/20 0.33
CNR1 P21554 4/20 0.33
GPR119 Q8TDV5 2/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TP53 P04637 1/20 0.31
CPB2 Q96IY4 1/20 0.30
GRIN2B Q13224 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL6741562 1.00 BRD4 (0.35) BRD4SPHK1CNR1GPR119KDM4E
SCHEMBL6741524 0.81 SPHK1 (0.38) BRD4SPHK1CNR1GPR119CPB2
SCHEMBL6736498 0.81 SPHK1 (0.38) BRD4SPHK1CNR1GPR119CPB2
SCHEMBL9705697 0.72 GRIN2B (0.34) CNR1GPR119MEN1KMT2ASMN1; SMN2
SCHEMBL223310 0.70 KLK7 (0.39) BRD4SPHK1GPR119MEN1KMT2A
SCHEMBL223309 0.70 KLK7 (0.39) BRD4SPHK1GPR119MEN1KMT2A
SCHEMBL2741064 0.70 KLK7 (0.39) BRD4SPHK1GPR119MEN1KMT2A
SCHEMBL31153714 0.69 SPHK1 (0.32) BRD4SPHK1
SCHEMBL31536674 0.69 SPHK1 (0.41) BRD4SPHK1
SCHEMBL30302061 0.69 KLK7 (0.38) BRD4SPHK1GPR119MEN1KMT2A

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 2 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

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 BRD4 2561/4885SPHK1 1998/4885CNR1 1993/4885

“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.