SCHEMBL17837259

SCHEMBL17837259

CC(C)(C)OC(=O)N1C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sc2C1(C)C

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.40
BACE1 P56817 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
BUB1 O43683 1/20 0.31

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
SCHEMBL17837252 0.83 USP30 (0.30) USP30
SCHEMBL21075868 0.78 BUB1 (0.34) BUB1
SCHEMBL17837270 0.78 BUB1 (0.34) BUB1
SCHEMBL21075867 0.71
SCHEMBL17873707 0.69 CDC7 (0.35) BACE1BACE2BUB1
SCHEMBL22470906 0.68 USP30 (0.40) USP30BACE1BACE2PRMT5WDR77
SCHEMBL17837206 0.68 MAPK3 (0.37) BACE1BACE2
SCHEMBL24525784 0.67
SCHEMBL21411165 0.67 BRD4 (0.47) USP30
SCHEMBL17599482 0.66 USP30 (0.46) USP30BACE1BACE2PRMT5WDR77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE48635-E1 ERK inhibitors ELI LILLY AND COMPANY (US) 2021-07-13 US disclosed
US-RE48635-E1 ERK inhibitors ELI LILLY AND COMPANY (US) 2021-07-13 US disclosed
US-20200306254-A1 COMBINATION OF ERK1/2 INHIBITOR COMPOUND WITH GEMCITABINE OR WITH GEMCITABINE AND NAB-PACLITAXEL FOR USE IN TREATMENT OF PANCREATIC CANCER LILLY CO ELI (US) 2020-10-01 US disclosed
US-20200306254-A1 COMBINATION OF ERK1/2 INHIBITOR COMPOUND WITH GEMCITABINE OR WITH GEMCITABINE AND NAB-PACLITAXEL FOR USE IN TREATMENT OF PANCREATIC CANCER LILLY CO ELI (US) 2020-10-01 US disclosed
EP-3237423-B1 THIENO[2,3-C]PYRROL-4-ONE DERIVATIVES AS ERK INHIBITORS LILLY CO ELI (US) 2019-06-05 EP disclosed
EP-3478292-A1 COMBINATION OF ERK1/2 INHIBITOR COMPOUND WITH GEMCITABINE OR WITH GEMCITABINE AND NAB-PACLITAXEL FOR USE IN TREATMENT OF PANCREATIC CANCER Eli Lilly and Company (US) 2019-05-08 EP disclosed
WO-2018005234-A1 COMBINATION OF ERK1/2 INHIBITOR COMPOUND WITH GEMCITABINE OR WITH GEMCITABINE AND NAB-PACLITAXEL FOR USE IN TREATMENT OF PANCREATIC CANCER ELI LILLY AND COMPANY (US) 2018-01-04 WO disclosed
US-20160375030-A1 ERK INHIBITORS ELI LILLY AND COMPANY 2016-12-29 US disclosed
US-20160375030-A1 ERK INHIBITORS ELI LILLY AND COMPANY 2016-12-29 US disclosed
US-9526733-B1 ERK inhibitors ELI LILLY AND COMPANY (US) 2016-12-27 US disclosed
US-9526733-B1 ERK inhibitors ELI LILLY AND COMPANY (US) 2016-12-27 US disclosed
US-9526733-B1 ERK inhibitors ELI LILLY AND COMPANY (US) 2016-12-27 US disclosed
US-9469652-B2 ERK inhibitors ELI LILLY AND COMPANY (US) 2016-10-18 US disclosed
US-9469652-B2 ERK inhibitors ELI LILLY AND COMPANY (US) 2016-10-18 US disclosed
US-9469652-B2 ERK inhibitors ELI LILLY AND COMPANY (US) 2016-10-18 US disclosed
WO-2016106029-A1 THIENO[2,3-C]PYRROL-4-ONE DERIVATIVES AS ERK INHIBITORS ELI LILLY AND COMPANY (US) 2016-06-30 WO disclosed
US-20160176896-A1 ERK INHIBITORS ELI LILLY AND COMPANY 2016-06-23 US disclosed
US-20160176896-A1 ERK INHIBITORS ELI LILLY AND COMPANY 2016-06-23 US disclosed
US-20160176896-A1 ERK INHIBITORS ELI LILLY AND COMPANY 2016-06-23 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 (3 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-20200306254-A1 COMBINATION OF ERK1/2 INHIBITOR COMPOUND WITH GEMCITABINE OR WITH GEMCITABINE AND NAB-PACLITAXEL FOR USE IN TREATMENT OF PANCREATIC CANCER KRAS, MAPKAPK2, MAPK1 USP30 4179/4885BACE1 3884/4885BACE2 3207/4885
US-20160375030-A1 ERK INHIBITORS MAPK4, MAPK1, MAPK3 USP30 1780/4885BACE1 4173/4885BACE2 4068/4885
US-20160176896-A1 ERK INHIBITORS MAPK4, MAPK1, MAPK3 USP30 1780/4885BACE1 4173/4885BACE2 4068/4885

“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.