SCHEMBL6741524

SCHEMBL6741524

CC(C)(C)OC(=O)N1C([C@H](O)c2nccs2)COC1(C)C

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.38
BRD4 O60885 1/20 0.37
CPB2 Q96IY4 1/20 0.35
CNR1 P21554 4/20 0.35
GPR119 Q8TDV5 2/20 0.35
HRH3 Q9Y5N1 1/20 0.34
CNR2 P34972 1/20 0.33
MGLL Q99685 1/20 0.33
KDM5A P29375 1/20 0.32
ALDH1A1 P00352 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
EED O75530 1/20 0.31
RBBP4 Q09028 1/20 0.31
SUZ12 Q15022 1/20 0.31
EZH2 Q15910 1/20 0.31
AEBP2 Q6ZN18 1/20 0.31
NR1H2 P55055 1/20 0.31
ALOX15 P16050 1/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL6736498 1.00 SPHK1 (0.38) SPHK1BRD4CPB2CNR1GPR119
SCHEMBL31536534 0.82 SPHK1 (0.36) SPHK1BRD4EEDRBBP4SUZ12
SCHEMBL31153932 0.82 SPHK1 (0.36) SPHK1BRD4EEDRBBP4SUZ12
SCHEMBL6741562 0.81 BRD4 (0.35) SPHK1BRD4CPB2CNR1GPR119
SCHEMBL6733665 0.81 BRD4 (0.35) SPHK1BRD4CPB2CNR1GPR119
SCHEMBL31536639 0.80 SPHK1 (0.40) SPHK1BRD4GPR119NR1H2
SCHEMBL20263034 0.80 GPR119 (0.40) SPHK1BRD4GPR119
SCHEMBL20263037 0.80 GPR119 (0.40) SPHK1BRD4GPR119
SCHEMBL6732088 0.78 GPR119 (0.40) SPHK1BRD4GPR119NPC1
SCHEMBL16553345 0.76 SPHK1 (0.46) SPHK1BRD4GPR119NR1H2

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 SPHK1 1998/4885BRD4 2561/4885CPB2 137/4885

“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.