SCHEMBL2704670

SCHEMBL2704670

CC(C)(C)NC(=O)OCCCN

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.37
ACHE P22303 13/20 0.36
CYP1A2 P05177 1/20 0.35
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL1205899 0.94 EPHX1 (0.40) EPHX1ACHECYP1A2CA12CA1
SCHEMBL27684736 0.92 EPHX1 (0.43) EPHX1ACHECA12CA1CA2
SCHEMBL28056747 0.92 EPHX1 (0.43) EPHX1ACHECA12CA1CA2
SCHEMBL2641404 0.91 EPHX1 (0.33) EPHX1ACHECYP1A2
Hydrochloric Acid SCHEMBL27247810 0.91 EPHX1 (0.42) EPHX1ACHECA12CA1CA2
SCHEMBL12502048 0.88 HDAC6 (0.42) ACHECYP1A2CA12CA1CA2
SCHEMBL2703359 0.88 ALDH1A1 (0.33) EPHX1ACHE
SCHEMBL28659907 0.86 PAOX (0.45) ACHECYP1A2CA12CA1CA2
Methane SCHEMBL27985713 0.86 ALDH1A1 (0.33) EPHX1ACHE
Hydrochloric Acid SCHEMBL27716907 0.86 ALDH1A1 (0.33) EPHX1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024210572-A1 NOVEL IMIDAZOLE DERIVATIVE AND USE THEREOF 주식회사 펠레메드 2024-10-10 WO disclosed
CN-112262129-B Triazacyclododecanesulfonamide (\"TCD\") based protein secretion inhibitors 科智生命科学公司 2024-05-14 CN disclosed
CN-112074507-B Compounds as Antibiotics 山东亨利医药科技有限责任公司 2023-09-05 CN disclosed
WO-2023151559-A1 HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND ANTI-TUMOR USE THEREOF 和径医药科技(上海)有限公司 2023-08-17 WO disclosed
WO-2023098730-A1 COMPOUND CONTAINING CYCLOALKYL OR HALOALKYL 正大天晴药业集团股份有限公司 2023-06-08 WO disclosed
WO-2020132582-A1 STING AGONISTS AND USES THEREOF NIMBUS TITAN, INC. (US) 2020-06-25 WO disclosed
CN-110520413-A Big ring broad-spectrum antibiotic RQX PHARMACEUTICALS INC 2019-11-29 CN disclosed
CN-110520409-A Compounds and compositions for intracellular delivery of therapeutic agents MODERNATX INC 2019-11-29 CN disclosed
CN-106164072-B Monocyclic lactam organic compounds for the treatment of bacterial infections 诺华股份有限公司 2019-10-01 CN disclosed
CN-110114344-A New pyrimidine compound and preparation method thereof, and contain pharmaceutical composition of the compound as prevention or treating cancer and the active constituent of diseases associated with inflammation 韩国化学研究院 2019-08-09 CN disclosed
CN-101855221-A Pyridazinone derivatives as PARP inhibitors ANGELETTI P IST RICHERCHE BIO 2010-10-06 CN disclosed
CN-1993361-B Pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER PHARMACEUTICALS CORP 2010-05-26 CN disclosed
CN-101687867-A imidazoquinolines with immuno-modulating properties ASTRAZENECA AB 2010-03-31 CN disclosed
CN-101421250-A 4-aryl-2-amino-pyrimidines or 4-aryl-2-aminoalkyl-pyrimidines as jak-2 modulators and pharmaceutical compositions containing them EXELIXIS INC (US) 2009-04-29 CN disclosed
US-7521557-B2 Pyrrolopyridine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-21 US disclosed
CN-101094837-A Novel beta agonists, method for producing the same and their use as drugs BOEHRINGER INGELHEIM INT (DE) 2007-12-26 CN disclosed
CN-1993361-A Pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER PHARMACEUTICALS CORP (US) 2007-07-04 CN disclosed
US-20060264457-A1 Pyrrolopyridine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY 2006-11-23 US disclosed
CN-1826116-A Piperidine derivatives as melanocortin-4 receptor agonists MERCK & CO INC (US) 2006-08-30 CN disclosed
CN-1809563-A Pyridino[1,2-a]pyrimidin-4-one compounds as anticancer agents CHIRON CORP (US) 2006-07-26 CN 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-20060264457-A1 Pyrrolopyridine-based inhibitors of dipeptidyl peptidase IV and methods DPP4, DPP9, DPP3 EPHX1 985/4885ACHE 1041/4885CYP1A2 1867/4885

“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.