SCHEMBL13007642

SCHEMBL13007642

CC(C)(C)OC(=O)N1CC[C@@H](n2c(O)nc3ncc(Cl)cc32)C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TNF P01375 3/20 0.46
LITAF Q99732 3/20 0.46
PIK3CA P42336 1/20 0.42
GPR119 Q8TDV5 3/20 0.41
HSD11B1 P28845 1/20 0.41
USP30 Q70CQ3 2/20 0.40
SRC P12931 3/20 0.40
NR3C1 P04150 1/20 0.40
EGFR P00533 3/20 0.39
ABL1 P00519 1/20 0.39
ABL2 P42684 1/20 0.39
STS P08842 1/20 0.39
PIK3CD O00329 3/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL13007640 1.00 TNF (0.46) TNFLITAFPIK3CAGPR119HSD11B1
SCHEMBL3764149 0.94 GPR119 (0.44) TNFLITAFPIK3CAGPR119NR3C1
SCHEMBL3673403 0.84 HSD11B1 (0.37) HSD11B1
SCHEMBL3769226 0.84 HSD11B1 (0.37) HSD11B1
SCHEMBL3775193 0.80 CHRNA7 (0.36) TNFLITAFHSD11B1
SCHEMBL2636985 0.79 HSD11B1 (0.62) TNFLITAFPIK3CAHSD11B1SRC
SCHEMBL2636984 0.79 HSD11B1 (0.62) TNFLITAFPIK3CAHSD11B1SRC
SCHEMBL2636722 0.77 HSD11B1 (0.59) TNFLITAFPIK3CAHSD11B1USP30
SCHEMBL2636724 0.77 HSD11B1 (0.59) TNFLITAFPIK3CAHSD11B1USP30
SCHEMBL16763620 0.73 FPR2 (0.49) TNFLITAFPIK3CAGPR119STS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7851484-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2010-12-14 US disclosed
US-7851484-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2010-12-14 US disclosed
US-20080242695-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2008-10-02 US disclosed
US-20080242695-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2008-10-02 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-20080242695-A1 Certain Chemical Entities, Compositions, and Methods TNNC1, TNNI3, TNNT2 TNF 752/4885LITAF 411/4885PIK3CA 1839/4885

“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.