SCHEMBL3970403

SCHEMBL3970403

CCC1(C(=O)OC)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.49
USP2 O75604 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
EPHX2 P34913 1/20 0.42
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
RECQL P46063 1/20 0.40
EPHX1 P07099 1/20 0.40
MMP13 P45452 3/20 0.40
ADAM17 P78536 3/20 0.40
MMP2 P08253 2/20 0.40
MMP14 P50281 1/20 0.40
HPGD P15428 1/20 0.39
GPR119 Q8TDV5 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
SCHEMBL31693677 0.92 USP2 (0.44) PKMUSP2SMN1; SMN2EPHX2CYP4F2
SCHEMBL34473382 0.91 PKM (0.45) PKMUSP2SMN1; SMN2EPHX2CYP4F2
SCHEMBL2157135 0.91 USP2 (0.51) PKMUSP2SMN1; SMN2EPHX2CYP4F2
SCHEMBL21963889 0.88 PKM (0.47) PKMUSP2SMN1; SMN2EPHX2CYP4F2
SCHEMBL16986998 0.88 PKM (0.49) PKMUSP2SMN1; SMN2EPHX2CYP4F2
SCHEMBL4295685 0.88 PKM (0.49) PKMUSP2SMN1; SMN2EPHX2CYP4F2
SCHEMBL3160087 0.87 USP2 (0.45) PKMUSP2SMN1; SMN2EPHX2CYP4F2
SCHEMBL963907 0.87 USP2 (0.47) PKMUSP2SMN1; SMN2CYP4F2CYP4A11
SCHEMBL1958618 0.87 PKM (0.48) PKMUSP2SMN1; SMN2EPHX2CYP4F2
SCHEMBL4129353 0.87 PKM (0.48) PKMUSP2SMN1; SMN2EPHX2CYP4F2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240217964-A1 QUINUCLIDINONE ANALOGUES AS ANTICANCER AGENTS NEWAVE PHARMACEUTICAL INC. 2024-07-04 US disclosed
CN-116034107-A Quinuclidinone analogs as anticancer agents 新波制药有限公司 2023-04-28 CN disclosed
US-20230089530-A1 QUINUCLIDINONE ANALOGUES AS ANTICANCER AGENTS NEWAVE PHARMACEUTICAL INC. 2023-03-23 US disclosed
EP-4100407-A1 QUINUCLIDINONE ANALOGUES AS ANTICANCER AGENTS Newave Pharmaceutical Inc. (US) 2022-12-14 EP disclosed
WO-2022204109-A1 QUINUCLIDINONE ANALOGUES AS ANTICANCER AGENTS NEWAVE PHARMACEUTICAL INC. (US) 2022-09-29 WO disclosed
WO-2021158948-A1 QUINUCLIDINONE ANALOGUES AS ANTICANCER AGENTS NEWAVE PHARMACEUTICAL INC. (US) 2021-08-12 WO disclosed
WO-2021078021-A1 SMALL MOLECULAR COMPOUND 嘉兴特科罗生物科技有限公司 2021-04-29 WO disclosed
US-9862720-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2018-01-09 US disclosed
US-9771369-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-09-26 US disclosed
US-9771369-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-09-26 US disclosed
US-20150284397-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2015-10-08 US disclosed
WO-2015134536-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2015-09-11 WO disclosed
US-20150203486-A1 Imidazopyridine Derivatives as Modulators of TNF Activity UCB Biopharma SPRL a corporation 2015-07-23 US disclosed
EP-2872508-A1 IMIDAZOPYRIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SPRL (BE) 2015-05-20 EP disclosed
WO-2014009295-A1 IMIDAZOPYRIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB PHARMA S.A. (BE) 2014-01-16 WO disclosed
EP-1989200-B1 [4-(BENZO[B]THIOPHEN-2-YL)-PYRIMIDIN-2-YL]-AMINE DERIVATIVES AS IKK-BETA INHIBITORS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES LILLY CO ELI (US) 2009-07-29 EP disclosed
US-7547691-B2 [4-(Benzo[B]thiophen-2-yl) Pyrimidin-2-yl]-amine derivatives as IKK-beta inhibitors for the treatment of cancer and inflammatory diseases ELI LILLY AND COMPANY (US) 2009-06-16 US disclosed
US-20080306082-A1 [4-(Benzo[B]Thiophen-2-Yl) Pyrimidin-2-Yl]-Amine Derivatives As Ikk-Beta Inhibitors For The Treatment Of Cancer And Inflammatory Diseases ELI LILLY AND COMPANY 2008-12-11 US disclosed
EP-1989200-A2 [4-(BENZO[B]THIOPHEN-2-YL)-PYRIMIDIN-2-YL]-AMINE DERIVATIVES AS IKK-BETA INHIBITORS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES ELI LILLY AND COMPANY (US) 2008-11-12 EP disclosed
WO-2007092095-A2 [4-(BENZO [B] THI0PHEN-2-YL) PYRIMIDIN-2YL] -AMINE DERIVATIVES AS IKK-BETA INHIBITORS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES. ELI LILLY AND COMPANY (US) 2007-08-16 WO 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 (5 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-20150203486-A1 Imidazopyridine Derivatives as Modulators of TNF Activity TNF, TNFRSF1A, IL1A PKM 986/4885USP2 4272/4885SMN1; SMN2 411/4885
US-20230089530-A1 QUINUCLIDINONE ANALOGUES AS ANTICANCER AGENTS NQO2, CNKSR1, NQO1 PKM 1595/4885USP2 3871/4885SMN1; SMN2 2023/4885
US-20080306082-A1 [4-(Benzo[B]Thiophen-2-Yl) Pyrimidin-2-Yl]-Amine Derivatives As Ikk-Beta Inhibitors For The Treatment Of Cancer And Inflammatory Diseases NFKBIA, IKBKB, IKBKG PKM 891/4885USP2 1936/4885SMN1; SMN2 4233/4885
US-20240217964-A1 QUINUCLIDINONE ANALOGUES AS ANTICANCER AGENTS NQO2, PRMT1, PRMT7 PKM 1083/4885USP2 3747/4885SMN1; SMN2 2345/4885
US-20150284397-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, PRKCH, PRKACA PKM 440/4885USP2 3192/4885SMN1; SMN2 2355/4885

“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.