SCHEMBL848744

SCHEMBL848744

CCOP(=O)(OCC)C(=[N+]=[N-])C(C)=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
NR1I2 O75469 3/20 0.36
TSHR P16473 2/20 0.36
PPARD Q03181 2/20 0.33
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HMGCR P04035 2/20 0.33
MAPT P10636 3/20 0.31
KMT2A Q03164 3/20 0.31
LMNA P02545 2/20 0.31
HTT P42858 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL7104114 0.84 CA12 (0.40) CA12CA1CA2CA9NR1I2
SCHEMBL428747 0.82 PPARD (0.35) CA12CA1CA2CA9TSHR
SCHEMBL20211819 0.81 CA12 (0.42) CA12CA1CA2CA9NR1I2
SCHEMBL13987082 0.81 CA12 (0.38) CA12CA1CA2CA9NR1I2
SCHEMBL25760245 0.81 CA12 (0.38) CA12CA1CA2CA9NR1I2
SCHEMBL3229087 0.81 CA12 (0.38) CA12CA1CA2CA9TSHR
SCHEMBL17772 0.77
SCHEMBL26720245 0.77 TSHR (0.40) CA12CA1CA2CA9NR1I2
SCHEMBL17202935 0.77 CA12 (0.35) CA12CA1CA2CA9NR1I2
SCHEMBL17202911 0.74 TSHR (0.40) CA12CA1CA2CA9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260138979-A1 PROCESSES FOR PREPARING KRAS INHIBITORS INCYTE CORP (US) 2026-05-21 US disclosed
WO-2026090336-A1 PROCESSES FOR PREPARING KRAS INHIBITORS INCYTE CORPORATION (US) 2026-04-30 WO disclosed
US-20250179004-A1 PROCESSES AND INTERMEDIATES FOR PREPARING MCL1 INHIBITORS GILEAD SCIENCES, INC. 2025-06-05 US disclosed
US-20250066318-A1 HETEROCYCLIC COMPOUNDS AS DYRK1A INHIBITORS PROTHENA BIOSCIENCES INC 2025-02-27 US disclosed
US-12202782-B2 Processes and intermediates for preparing MCL1 inhibitors GILEAD SCIENCES, INC. (US) 2025-01-21 US disclosed
EP-4444421-A2 HETEROCYCLIC COMPOUNDS AS DYRK1A INHIBITORS Prothena Biosciences Limited (IE) 2024-10-16 EP disclosed
EP-4247783-A1 PROCESSES AND INTERMEDIATES FOR PREPARING MACROCYCLIC MCL1 INHIBITORS GILEAD SCIENCES, INC. (US) 2023-09-27 EP disclosed
WO-2023107714-A2 METHODS FOR TREATING NEUROLOGICAL DISORDERS PROTHENA BIOSCIENCES LIMITED (IE) 2023-06-15 WO disclosed
US-20220177409-A1 PROCESSES AND INTERMEDIATES FOR PREPARING MCL1 INHIBITORS GILEAD SCIENCES, INC. 2022-06-09 US disclosed
WO-2022108984-A1 PROCESSES AND INTERMEDIATES FOR PREPARING MACROCYCLIC MCL1 INHIBITORS GILEAD SCIENCES, INC. (US) 2022-05-27 WO disclosed
WO-2006107753-A2 PYRAZOLOPYRIDINES AND ANALOGS THEREOF COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-10-12 WO disclosed
EP-1701955-A1 ARYLALKENYL AND ARYLALKYNYL SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2006-09-20 EP disclosed
WO-2006095205-A1 HETEROARYLSULFONYL STILBENES AS 5-HT2A ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 2006-09-14 WO disclosed
EP-1696912-A2 PYRAZOLOPYRIDINES AND ANALOGS THEREOF 3M Innovative Properties Company (US) 2006-09-06 EP disclosed
WO-2006065280-A2 ISOXAZOLE, DIHYDROISOXAZOLE, AND OXADIAZOLE SUBSTITUTED IMIDAZO RING COMPOUNDS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-06-22 WO disclosed
US-20060100229-A1 Pyrazolopyridines and analogs thereof 3M INNOVATIVE PROPERTIES COMPANY 2006-05-11 US disclosed
US-20060052445-A1 Diarylsulfones as 5-HT2A antagonists MERCK SHARP & DOHME (UK) LIMITED (GB) 2006-03-09 US disclosed
WO-2006021805-A1 DIARYLSULFONES AS 5-HT2A ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 2006-03-02 WO disclosed
WO-2005079195-A2 PYRAZOLOPYRIDINES AND ANALOGS THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-09-01 WO disclosed
WO-2005066170-A1 ARYLALKENYL AND ARYLALKYNYL SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-07-21 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 (7 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-20250066318-A1 HETEROCYCLIC COMPOUNDS AS DYRK1A INHIBITORS DYRK1A, DYRK2, DYRK1B CA12 4456/4885CA1 3329/4885CA2 2594/4885
US-20060052445-A1 Diarylsulfones as 5-HT2A antagonists HTR2A, HTR2B, HTR1A CA12 4860/4885CA1 4510/4885CA2 4755/4885
US-20220177409-A1 PROCESSES AND INTERMEDIATES FOR PREPARING MCL1 INHIBITORS MCL1, BCL3, XIAP CA12 4761/4885CA1 4664/4885CA2 4799/4885
US-12202782-B2 Processes and intermediates for preparing MCL1 inhibitors MCL1, BCL3, XIAP CA12 4761/4885CA1 4664/4885CA2 4799/4885
US-20060100229-A1 Pyrazolopyridines and analogs thereof IL4, IL2, IL4I1 CA12 4790/4885CA1 4441/4885CA2 4526/4885
US-20260138979-A1 PROCESSES FOR PREPARING KRAS INHIBITORS KRAS, NRAS, HRAS CA12 3883/4885CA1 2644/4885CA2 875/4885
US-20250179004-A1 PROCESSES AND INTERMEDIATES FOR PREPARING MCL1 INHIBITORS MCL1, BCL3, XIAP CA12 4761/4885CA1 4664/4885CA2 4799/4885

“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.