SCHEMBL20113067

SCHEMBL20113067

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 3/20 0.38
HDAC8 Q9BY41 1/20 0.35
PTPN1 P18031 1/20 0.34
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
EPHX2 P34913 1/20 0.32
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
PEPD P12955 1/20 0.31
CCR2 P41597 1/20 0.31
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL20489164 0.89 HSD17B10 (0.34) HDAC8EPHX2SMN1; SMN2
SCHEMBL18555005 0.89 HSD17B10 (0.34) HDAC8EPHX2SMN1; SMN2
SCHEMBL17973835 0.85 HDAC8 (0.38) IMPDH2HDAC8PTPN1NR1H2NR1H3
SCHEMBL20113066 0.85 IMPDH2 (0.40) IMPDH2HDAC8PTPN1NR1H2NR1H3
SCHEMBL16635290 0.85 IMPDH2 (0.40) IMPDH2HDAC8PTPN1NR1H2NR1H3
SCHEMBL16647803 0.84 IMPDH2 (0.38) IMPDH2HDAC8PTPN1NR1H2NR1H3
SCHEMBL16647822 0.84 HDAC8 (0.38) IMPDH2HDAC8PTPN1NR1H2NR1H3
SCHEMBL21789823 0.83 FKBP1A (0.41)
SCHEMBL12480646 0.83 FKBP1A (0.41)
SCHEMBL4870352 0.82 HDAC8 (0.39) IMPDH2HDAC8PTPN1NR1H2NR1H3

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20180118680-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 IMPDH2 3317/4885HDAC8 1732/4885PTPN1 2070/4885
US-20200048197-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 IMPDH2 3317/4885HDAC8 1732/4885PTPN1 2070/4885
US-11236046-B2 Substituted heterocyclic sulfonamide compounds useful as TRPA1 modulators TRPA1, TRPV1, TRPV2 IMPDH2 3317/4885HDAC8 1732/4885PTPN1 2070/4885

“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.