SCHEMBL3355474

SCHEMBL3355474

CC(C)(C)OC(=O)N1CC[C@@H](N(Cc2ccccc2)C(=O)OCc2ccccc2)[C@@H](F)C1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.52
JAK1 P23458 1/20 0.52
HTR2A P28223 4/20 0.51
HSD11B1 P28845 1/20 0.49
GPR119 Q8TDV5 7/20 0.44
USP30 Q70CQ3 2/20 0.43
STS P08842 1/20 0.43
PTPRB P23467 1/20 0.43
PTPN11 Q06124 1/20 0.43
HTT P42858 1/20 0.42

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
SCHEMBL3352325 1.00 JAK2 (0.52) JAK2JAK1HTR2AHSD11B1GPR119
SCHEMBL30368581 0.88 SIGMAR1 (0.52) JAK2JAK1HSD11B1GPR119USP30
SCHEMBL2850358 0.88 JAK2 (0.52) JAK2JAK1HSD11B1GPR119USP30
SCHEMBL2850359 0.88 JAK2 (0.52) JAK2JAK1HSD11B1GPR119USP30
SCHEMBL3355641 0.87 HTR2A (0.54) HTR2A
SCHEMBL2844701 0.86 JAK2 (0.48) JAK2JAK1HTR2AHSD11B1GPR119
SCHEMBL2844705 0.86 JAK2 (0.48) JAK2JAK1HTR2AHSD11B1GPR119
SCHEMBL2849224 0.84 JAK2 (0.49) JAK2JAK1HSD11B1GPR119USP30
SCHEMBL2849228 0.84 JAK2 (0.49) JAK2JAK1HSD11B1GPR119USP30
SCHEMBL3805677 0.83 JAK2 (0.47) JAK2JAK1HSD11B1GPR119USP30

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-20100144717-A1 2-QUINOLINONE AND 2-QUINOXALINONE-DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-06-10 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-20100144717-A1 2-QUINOLINONE AND 2-QUINOXALINONE-DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS NQO2, SDHA, NDUFS5 JAK2 2220/4885JAK1 2981/4885HTR2A 1487/4885

“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.