SCHEMBL17005366

SCHEMBL17005366

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
THRB P10828 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
STS P08842 1/20 0.41
NAMPT P43490 1/20 0.40
RORC P51449 3/20 0.40
TACR1 P25103 2/20 0.39
GPR119 Q8TDV5 2/20 0.39
PARP1 P09874 1/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
USP30 Q70CQ3 1/20 0.38
PTPN1 P18031 1/20 0.38
YAP1 P46937 1/20 0.37

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
SCHEMBL2811260 1.00 GAA (0.41) GAATHRBSMN1; SMN2JAK2JAK1
SCHEMBL17013190 0.91 PDE4B (0.41) GAATHRBSMN1; SMN2JAK2JAK1
SCHEMBL17013193 0.90 JAK2 (0.43) GAATHRBSMN1; SMN2JAK2JAK1
SCHEMBL17013191 0.89 NR1H2 (0.42) GAATHRBSMN1; SMN2JAK2JAK1
SCHEMBL13132221 0.89 NR1H2 (0.42) GAATHRBSMN1; SMN2JAK2JAK1
SCHEMBL16633219 0.88 JAK2 (0.41) GAATHRBSMN1; SMN2JAK2JAK1
SCHEMBL16634147 0.88 JAK2 (0.41) GAATHRBSMN1; SMN2JAK2JAK1
SCHEMBL16633218 0.88 JAK2 (0.41) GAATHRBSMN1; SMN2JAK2JAK1
SCHEMBL19829019 0.88 JAK2 (0.41) GAATHRBSMN1; SMN2JAK2JAK1
SCHEMBL29874101 0.88 JAK2 (0.41) GAATHRBSMN1; SMN2JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2933248-B1 NOVEL RENIN INHIBITOR MITSUBISHI TANABE PHARMA CORP (JP) 2018-01-31 EP disclosed
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-9556159-B2 Renin inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-31 US disclosed
EP-2933248-A1 NOVEL RENIN INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2015-10-21 EP 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
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 GAA 1408/4885THRB 1625/4885SMN1; SMN2 4534/4885

“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.