SCHEMBL17013191

SCHEMBL17013191

CC(C)(C)OC(=O)N1C[C@@H](CO)O[C@@H](COCc2ccccc2)C1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
STS P08842 1/20 0.42
NAMPT P43490 1/20 0.42
RORC P51449 1/20 0.41
GPR119 Q8TDV5 3/20 0.40
TACR1 P25103 2/20 0.40
GAA P10253 1/20 0.40
THRB P10828 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 2/20 0.40
PARP1 P09874 1/20 0.40
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
PDE4B Q07343 1/20 0.39
USP30 Q70CQ3 1/20 0.39
PTPN1 P18031 1/20 0.39

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
SCHEMBL13132221 1.00 NR1H2 (0.42) NR1H2JAK2JAK1STSNAMPT
SCHEMBL29874101 0.90 JAK2 (0.41) JAK2JAK1STSNAMPTRORC
SCHEMBL16643746 0.90 JAK2 (0.41) JAK2JAK1STSNAMPTRORC
SCHEMBL16634147 0.90 JAK2 (0.41) JAK2JAK1STSNAMPTRORC
SCHEMBL19829019 0.90 JAK2 (0.41) JAK2JAK1STSNAMPTRORC
SCHEMBL16633218 0.90 JAK2 (0.41) JAK2JAK1STSNAMPTRORC
SCHEMBL16633219 0.90 JAK2 (0.41) JAK2JAK1STSNAMPTRORC
SCHEMBL16633621 0.90 JAK2 (0.41) JAK2JAK1STSNAMPTRORC
SCHEMBL2811260 0.89 GAA (0.41) JAK2JAK1STSNAMPTRORC
SCHEMBL17005366 0.89 GAA (0.41) JAK2JAK1STSNAMPTRORC

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-9556159-B2 Renin inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-31 US disclosed
US-9556159-B2 Renin inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-31 US disclosed
US-20150232459-A1 NOVEL RENIN INHIBITOR SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-08-20 US disclosed
US-20150232459-A1 NOVEL RENIN INHIBITOR SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-08-20 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-20150232459-A1 NOVEL RENIN INHIBITOR REN, AGTR1, ACE NR1H2 821/4885JAK2 3230/4885JAK1 3473/4885

“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.