SCHEMBL3661716

SCHEMBL3661716

COC(=O)C1CC(O)(C(F)(F)F)CN1C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.38
IMPDH2 P12268 3/20 0.37
HDAC8 Q9BY41 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
EPHX2 P34913 1/20 0.33
MAPK1 P28482 1/20 0.33
PDK2 Q15119 2/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP3A4 P08684 2/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
PEPD P12955 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
SCHEMBL3661719 1.00 PTPN1 (0.38) PTPN1IMPDH2HDAC8NR1H2NR1H3
SCHEMBL20487628 1.00 PTPN1 (0.38) PTPN1IMPDH2HDAC8NR1H2NR1H3
SCHEMBL30890524 0.86 PTPN1 (0.38) PTPN1IMPDH2HDAC8NR1H2NR1H3
SCHEMBL30890604 0.86 PTPN1 (0.38) PTPN1IMPDH2HDAC8NR1H2NR1H3
SCHEMBL30890540 0.86 PTPN1 (0.38) PTPN1IMPDH2HDAC8NR1H2NR1H3
SCHEMBL30890537 0.86 PTPN1 (0.40) PTPN1IMPDH2HDAC8NR1H2NR1H3
SCHEMBL30890519 0.86 PTPN1 (0.38) PTPN1IMPDH2HDAC8NR1H2NR1H3
SCHEMBL19066055 0.86 HSD17B10 (0.39) HDAC8CHRM2CHRM1CHRM3EPHX2
SCHEMBL20446514 0.86 HSD17B10 (0.39) HDAC8CHRM2CHRM1CHRM3EPHX2
SCHEMBL15718593 0.86 HSD17B10 (0.39) HDAC8CHRM2CHRM1CHRM3EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025264645-A1 SODIUM CHANNEL BLOCKING COMPOUNDS, DERIVATIVES THEREOF, AND METHODS OF THEIR USE LATIGO BIOTHERAPEUTICS, INC. (US) 2025-12-26 WO disclosed
WO-2020113077-A9 COMPOSITIONS AND METHODS FOR MODULAR CONTROL OF BIOORTHOGONAL LIGATION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2020-08-13 WO disclosed
WO-2020113077-A1 COMPOSITIONS AND METHODS FOR MODULAR CONTROL OF BIOORTHOGONAL LIGATION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2020-06-04 WO disclosed
US-9845326-B2 Substituted 3,4-dihydropyrrolo[1,2-A]pyrazines as beta-secretase (BACE) inhibitors JANSSEN PHARMACEUTICA NV (BE) 2017-12-19 US disclosed
EP-2683721-B1 3,4-DIHYDRO-PYRROLO[1,2-a]PYRAZIN-1-YLAMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2015-01-28 EP disclosed
WO-2012120023-A1 3,4-DIHYDRO-PYRROLO[1,2-a]PYRAZIN-1-YLAMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2012-09-13 WO disclosed
US-7691843-B2 N-hydroxyamide derivatives possessing antibacterial activity PFIZER INC. (US) 2010-04-06 US disclosed
US-20080058304-A1 N-hydroxyamide derivatives possessing antibacterial activity VICURON HOLDINGS LLC 2008-03-06 US disclosed
EP-1539744-A4 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARM INC (US) 2007-06-06 EP disclosed
EP-1539744-A2 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY Vicuron Pharmaceuticals, Inc. (US) 2005-06-15 EP disclosed
WO-2004007444-A2 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS, INC. (US) 2004-01-22 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 (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-20080058304-A1 N-hydroxyamide derivatives possessing antibacterial activity AMDHD2, OGA, ENGASE PTPN1 2663/4885IMPDH2 685/4885HDAC8 26/4885

“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.