SCHEMBL4415922

SCHEMBL4415922

CC(C)(C)OC(=O)N1CCN2C(COc3ccccc3S2(=O)=O)C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.41
PIK3R2 O00459 3/20 0.41
PIK3CA P42336 3/20 0.41
PIK3CB P42338 3/20 0.41
PIK3CG P48736 3/20 0.41
PIK3R5 Q8WYR1 3/20 0.41
PIK3R3 Q92569 3/20 0.41
USP30 Q70CQ3 7/20 0.38
GPR119 Q8TDV5 3/20 0.38
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
EGFR P00533 1/20 0.36
SRC P12931 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
MAPK1 P28482 1/20 0.35

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
SCHEMBL3555260 0.82 MAPK1 (0.43) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL21623340 0.79 S1PR2 (0.37) USP30GPR119
SCHEMBL4407107 0.76 MAPK1 (0.44) USP30GPR119JAK2JAK1MAPK1
SCHEMBL4408213 0.75 USP30 (0.43) USP30GPR119EGFRSRCCHRM2
SCHEMBL20986856 0.74 PIK3CD (0.47) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL20986857 0.74 PIK3CD (0.47) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL23512959 0.73 USP2 (0.42) USP30GPR119CHRM2CHRM1CHRM3
SCHEMBL26041166 0.73 USP2 (0.42) USP30GPR119CHRM2CHRM1CHRM3
SCHEMBL15202871 0.73 USP2 (0.42) USP30GPR119CHRM2CHRM1CHRM3
SCHEMBL31026108 0.72 POLB (0.46) PIK3CAUSP30GPR119

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-20090318412-A1 Tricyclic heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-24 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-20090318412-A1 Tricyclic heterocyclic compound and use thereof HTR2C, HTR2A, HTR5A PIK3CD 1770/4885PIK3R2 1645/4885PIK3CA 2213/4885

“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.