SCHEMBL6728211

SCHEMBL6728211

CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)C(C/C=C/c2cccs2)C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.40
GPR119 Q8TDV5 1/20 0.39
ALDH1A1 P00352 3/20 0.38
SETD7 Q8WTS6 2/20 0.38
GBA1 P04062 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HTT P42858 1/20 0.38
KAT7 O95251 1/20 0.38
ABHD6 Q9BV23 1/20 0.37
DAGLA Q9Y4D2 1/20 0.37
NAMPT P43490 1/20 0.37
NR1H2 P55055 2/20 0.36
NR1H3 Q13133 2/20 0.36
LMNA P02545 3/20 0.36
HPGD P15428 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL6728212 1.00 PARP1 (0.40) PARP1GPR119ALDH1A1SETD7GBA1
SCHEMBL7819385 0.84 KDM1A (0.43) GPR119ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL7411527 0.84 KDM1A (0.43) GPR119ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6730632 0.77 PARP1 (0.41) PARP1GPR119GBA1SMN1; SMN2KAT7
SCHEMBL6736853 0.77 TDP1 (0.44) ALDH1A1
SCHEMBL6736849 0.77 TDP1 (0.44) ALDH1A1
SCHEMBL4840248 0.76 NR1H2 (0.41) PARP1ALDH1A1SETD7SMN1; SMN2KAT7
SCHEMBL4845934 0.76 NR1H2 (0.41) PARP1ALDH1A1SETD7SMN1; SMN2KAT7
SCHEMBL4843363 0.73 PARP1 (0.37) PARP1ALDH1A1SETD7SMN1; SMN2KAT7
SCHEMBL4840050 0.73 PARP1 (0.37) PARP1ALDH1A1SETD7SMN1; SMN2KAT7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6747023-B1 INHIBITORS FOR ACTIVATED COAGULATION FACTOR X, COAGULATION SUPPRESSORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-08 US disclosed
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-29 US disclosed
EP-1104754-A1 NOVEL SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-06-06 EP 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-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction F2, CYC1, SULT2A1 PARP1 1162/4885GPR119 3583/4885ALDH1A1 1316/4885

“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.