SCHEMBL17956445

SCHEMBL17956445

COC(=O)c1ccc([C@]2(C(=O)O)CC[C@@H](NOCc3ccccc3)CN2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
USP30 Q70CQ3 2/20 0.37
GPR119 Q8TDV5 3/20 0.36
YAP1 P46937 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
STS P08842 1/20 0.34
CHRM4 P08173 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34

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
SCHEMBL17956404 0.91 GPR119 (0.36) USP30GPR119YAP1KMT2ASTS
SCHEMBL17956491 0.90 KMT2A (0.36) USP30GPR119YAP1MEN1KMT2A
SCHEMBL17956439 0.87 GPR119 (0.38) USP30GPR119YAP1STS
SCHEMBL17956511 0.87 GPR119 (0.40) GPR119STS
SCHEMBL17956553 0.86 NPC1 (0.40) USP30GPR119YAP1ALDH1A1KMT2A
SCHEMBL17956374 0.86 STS (0.37) USP30GPR119CYP3A4RAB9ASTS
SCHEMBL17956366 0.83 USP30 (0.38) USP30GPR119YAP1JAK2JAK1
SCHEMBL17956418 0.82 GPR119 (0.36) USP30GPR119YAP1ALDH1A1MEN1
SCHEMBL17956461 0.81 HDAC1 (0.40) HDAC1HDAC6USP30GPR119YAP1
SCHEMBL17956473 0.81 USP30 (0.38) USP30YAP1ALDH1A1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10000491-B2 Process for producing diazabicyclooctane derivative and intermediate thereof MEIJI SEIKA PHARMA CO., LTD. (JP) 2018-06-19 US disclosed
US-10000492-B2 Process for producing diazabicyclooctane derivative MEIJI SEIKA PHARMA CO., LTD. (JP) 2018-06-19 US disclosed
US-20170283415-A1 PROCESS FOR PRODUCING DIAZABICYCLOOCTANE DERIVATIVE MEIJI SEIKA PHARMA CO., LTD. (JP) 2017-10-05 US disclosed
US-20160264573-A1 PROCESS FOR PRODUCING DIAZABICYCLOOCTANE DERIVATIVE AND INTERMEDIATE THEREOF MEIJI SEIKA PHARMA CO., LTD. (JP) 2016-09-15 US disclosed
EP-3050883-A1 PRODUCTION METHOD FOR DIAZABICYCLOOCTANE DERIVATIVE AND INTERMEDIARY BODY THEREOF Meiji Seika Pharma Co., Ltd. (JP) 2016-08-03 EP 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 (4 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-10000492-B2 Process for producing diazabicyclooctane derivative OGFOD1, HAAO, CLCN2 HDAC1 1020/4885HDAC6 2113/4885USP30 2537/4885
US-20170283415-A1 PROCESS FOR PRODUCING DIAZABICYCLOOCTANE DERIVATIVE OGFOD1, HAAO, CLCN2 HDAC1 1020/4885HDAC6 2113/4885USP30 2537/4885
US-20160264573-A1 PROCESS FOR PRODUCING DIAZABICYCLOOCTANE DERIVATIVE AND INTERMEDIATE THEREOF CLCN2, ODC1, KCNN4 HDAC1 1734/4885HDAC6 1990/4885USP30 3438/4885
US-10000491-B2 Process for producing diazabicyclooctane derivative and intermediate thereof CLCN2, ODC1, KCNN4 HDAC1 1734/4885HDAC6 1990/4885USP30 3438/4885

“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.