SCHEMBL6730632

SCHEMBL6730632

CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)C(CCCc2cccs2)C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 4/20 0.39
GPR119 Q8TDV5 1/20 0.39
GBA1 P04062 1/20 0.38
TP53 P04637 4/20 0.38
PKM P14618 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 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 1/20 0.36
NR1H3 Q13133 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
SCHEMBL5228089 0.78 SMN1; SMN2 (0.53) SMN1; SMN2HSD17B10GBA1
SCHEMBL6728212 0.77 PARP1 (0.40) PARP1SMN1; SMN2LMNAGPR119GBA1
SCHEMBL6728211 0.77 PARP1 (0.40) PARP1SMN1; SMN2LMNAGPR119GBA1
SCHEMBL9035867 0.77 KDM4E (0.52) LMNAGPR119TP53PKM
SCHEMBL4836552 0.76 NR1H2 (0.43) PARP1SMN1; SMN2GPR119KAT7NR1H2
SCHEMBL6736916 0.76 PDE4B (0.45) PARP1
SCHEMBL9744195 0.75 SMN1; SMN2 (0.55) SMN1; SMN2HSD17B10GBA1
SCHEMBL4843481 0.75 PARP1 (0.39) PARP1SMN1; SMN2HSD17B10KAT7ABHD6
SCHEMBL4840168 0.74 NR1H2 (0.46) PARP1SMN1; SMN2KAT7NR1H2
SCHEMBL5790219 0.74 NR1H2 (0.46) PARP1SMN1; SMN2KAT7NR1H2

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 1162/4885SMN1; SMN2 1510/4885HSD17B10 893/4885

“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.