SCHEMBL16647822

SCHEMBL16647822

COC(=O)[C@@H]1CC(F)(CO)CN1C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.38
PTPN1 P18031 1/20 0.37
IMPDH2 P12268 3/20 0.36
NR1H2 P55055 2/20 0.35
NR1H3 Q13133 1/20 0.35
PEPD P12955 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ABCB1 P08183 1/20 0.33
EPHX2 P34913 1/20 0.33
MAPK1 P28482 1/20 0.32
CYP3A4 P08684 2/20 0.32
MAPT P10636 2/20 0.32
FKBP1A P62942 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL17973835 0.91 HDAC8 (0.38) HDAC8PTPN1IMPDH2NR1H2NR1H3
SCHEMBL16647803 0.90 IMPDH2 (0.38) HDAC8PTPN1IMPDH2NR1H2NR1H3
SCHEMBL4870352 0.87 HDAC8 (0.39) HDAC8PTPN1IMPDH2NR1H2NR1H3
SCHEMBL30571682 0.87 FKBP1A (0.35) HDAC8PTPN1NR1H2ABCB1MAPT
SCHEMBL18555341 0.86 HSD17B10 (0.38) HDAC8NR1H2SMN1; SMN2ABCB1EPHX2
SCHEMBL26119834 0.86 HSD17B10 (0.38) HDAC8NR1H2SMN1; SMN2ABCB1EPHX2
SCHEMBL5511725 0.85 HDAC8 (0.35) HDAC8PTPN1IMPDH2NR1H2NR1H3
SCHEMBL4869919 0.85 HDAC8 (0.35) HDAC8PTPN1IMPDH2NR1H2NR1H3
SCHEMBL5519647 0.85 HDAC8 (0.37) HDAC8PTPN1IMPDH2NR1H2NR1H3
SCHEMBL20113067 0.84 IMPDH2 (0.38) HDAC8PTPN1IMPDH2NR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11236046-B2 Substituted heterocyclic sulfonamide compounds useful as TRPA1 modulators GENENTECH, INC. (US) 2022-02-01 US disclosed
US-20200048197-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2020-02-13 US disclosed
US-20180118680-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2018-05-03 US disclosed
US-20180118680-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2018-05-03 US disclosed
US-20160221945-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2016-08-04 US disclosed
US-20160221945-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2016-08-04 US disclosed
WO-2015052264-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2015-04-16 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 (4 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-20160221945-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 HDAC8 1732/4885PTPN1 2070/4885IMPDH2 3317/4885
US-20180118680-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 HDAC8 1732/4885PTPN1 2070/4885IMPDH2 3317/4885
US-20200048197-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 HDAC8 1732/4885PTPN1 2070/4885IMPDH2 3317/4885
US-11236046-B2 Substituted heterocyclic sulfonamide compounds useful as TRPA1 modulators TRPA1, TRPV1, TRPV2 HDAC8 1732/4885PTPN1 2070/4885IMPDH2 3317/4885

“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.