SCHEMBL7642786

SCHEMBL7642786

CC(C)(C)OC(=O)NC(CO)CCO

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.43
▸ CTSK P43235 11/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CTSS P25774 5/20 0.41

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
SCHEMBL7642781 1.00 CA1 (0.46) CA1CA2CA7TDP1CTSK
SCHEMBL2617386 1.00 CA1 (0.46) CA1CA2CA7TDP1CTSK
SCHEMBL3735437 0.92 CA1 (0.49) CA1CA2CA7TDP1CTSK
SCHEMBL28323890 0.89 TDP1 (0.49) CA1CA2CA7TDP1CTSK
SCHEMBL2296899 0.89 TDP1 (0.49) CA1CA2CA7TDP1CTSK
SCHEMBL2296898 0.89 TDP1 (0.49) CA1CA2CA7TDP1CTSK
SCHEMBL2861782 0.88 CA1 (0.52) CA1CA2CA7TDP1CTSK
SCHEMBL13040189 0.88 TDP1 (0.51) CA1CA2CA7TDP1CTSK
SCHEMBL8042680 0.88 TDP1 (0.51) CA1CA2CA7TDP1CTSK
SCHEMBL24298350 0.87 CA1 (0.45) CA1CA2CA7TDP1CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107759779-B Antibacterial polyester material and preparation method thereof 东华大学 2020-04-07 — — CN claimed
US-20240156965-A1 DICHALCOGENIDE PRODRUGS LUDWIG-MAXIMILIANS-UNIVERSITAT MUNCHEN (DE) 2024-05-16 — — US disclosed
CN-112638898-B Heteroaryl substituted sulfonamide compounds and their use as sodium channel inhibitors 泽农医药公司 2024-04-09 — — CN disclosed
EP-4320124-A1 DICHALCOGENIDE PRODRUGS Ludwig-Maximilians-Universität München (DE) 2024-02-14 — — EP disclosed
US-11555051-B2 Dithioamine reducing agents WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2023-01-17 — — US disclosed
WO-2022214598-A1 DICHALCOGENIDE PRODRUGS LUDWIG-MAXIMILIANS-UNIVERSITÄT MÜNCHEN (DE) 2022-10-13 — — WO disclosed
EP-4071148-A1 DICHALCOGENIDE PRODRUGS Ludwig-Maximilians-Universität München (DE) 2022-10-12 — — EP disclosed
CN-109526219-B Benzenesulfonamides and their use as therapeutic agents 泽农医药公司 2021-03-12 — — CN disclosed
US-20190153025-A1 Dithioamine Reducing Agents WISCONSIN ALUMNI RESEARCH FOUNDATION 2019-05-23 — — US disclosed
US-20150307544-A1 DITHIOAMINE REDUCING AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-10-29 — — US disclosed
US-9090662-B2 Dithioamine reducing agents WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2015-07-28 — — US disclosed
US-20130211055-A1 DITHIOAMINE REDUCING AGENTS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-08-15 — — US disclosed
US-6472533-B1 SUCH AS PHOSPHINE OXAZOLINES; HIGH ENANTIOSELECTIVITY; CATALYSTS FOR SYNTHESIS OF ACTIVE MATERIALS FOR PHARMACEU-TICALS, AGROCHEMICALS, FRAGRANCES AND FOOD ADDITIVES; EFFICIENT THE TEXAS A & M UNIVERSITY SYSTEM 2002-10-29 — — US disclosed
CN-1353718-A Novel ligands for chiral catalysis TEXAS A & M UNIV SYS (US) 2002-06-12 — — 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 (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-20150307544-A1 DITHIOAMINE REDUCING AGENTS TMT1A, QSOX1, TST CA1 1886/4885CA2 2090/4885CA7 3951/4885
US-20190153025-A1 Dithioamine Reducing Agents TMT1A, QSOX1, TST CA1 1886/4885CA2 2090/4885CA7 3951/4885
US-20240156965-A1 DICHALCOGENIDE PRODRUGS DHCR7, DECR1, CYP27A1 CA1 179/4885CA2 864/4885CA7 381/4885
US-11555051-B2 Dithioamine reducing agents TMT1A, QSOX1, TST CA1 1886/4885CA2 2090/4885CA7 3951/4885
US-20130211055-A1 DITHIOAMINE REDUCING AGENTS SQOR, TST, TMT1A CA1 1006/4885CA2 1282/4885CA7 2180/4885

“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.

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