SCHEMBL6748180

SCHEMBL6748180

CC(C)(C)OC(=O)N1C(C[C@@H](O)c2ccsc2)COC1(C)C

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.39
BRD4 O60885 1/20 0.38
HSD11B2 P80365 1/20 0.35
GPR119 Q8TDV5 1/20 0.33
ATM Q13315 1/20 0.33
HTR1A P08908 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
NR1I2 O75469 4/20 0.31
EED O75530 1/20 0.30
RBBP4 Q09028 1/20 0.30
SUZ12 Q15022 1/20 0.30
EZH2 Q15910 1/20 0.30
AEBP2 Q6ZN18 1/20 0.30
SCD O00767 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
SCHEMBL6748179 1.00 SPHK1 (0.39) SPHK1BRD4HSD11B2GPR119ATM
SCHEMBL6186128 0.86 CYP2D6 (0.42) SPHK1BRD4HSD11B2ATM
SCHEMBL6186125 0.86 CYP2D6 (0.42) SPHK1BRD4HSD11B2ATM
SCHEMBL6750089 0.84 SPHK1 (0.39) SPHK1BRD4HSD11B2GPR119ATM
SCHEMBL6746240 0.84 SPHK1 (0.39) SPHK1BRD4HSD11B2GPR119ATM
SCHEMBL6748054 0.82 SPHK1 (0.38) SPHK1BRD4HSD11B2GPR119HTR1A
SCHEMBL6751156 0.81 SPHK1 (0.37) SPHK1BRD4HSD11B2GPR119EED
SCHEMBL6748024 0.81 GPR119 (0.39) SPHK1BRD4GPR119
SCHEMBL6750858 0.81 GPR119 (0.39) SPHK1BRD4GPR119
SCHEMBL6494472 0.80 SPHK1 (0.39) SPHK1BRD4HSD11B2GPR119CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040242871-A1 Novel arylheteroalkylamine derivatives ASTRAZENECA AB (SE) 2004-12-02 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-20040242871-A1 Novel arylheteroalkylamine derivatives CYP1A1, NOS3, NOS1 SPHK1 1994/4885BRD4 3935/4885HSD11B2 894/4885

“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.