Sugi Predict

Sugi Predict / Compounds / SCHEMBL2380326

SCHEMBL2380326

SCHEMBL2380326

CCC1(O)C[C@@H](C(=O)OC)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 3/20 0.39
▸ HDAC8 Q9BY41 1/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ NR1H2 P55055 1/20 0.36
▸ NR1H3 Q13133 1/20 0.36
▸ FKBP1A P62942 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ PEPD P12955 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ SPHK1 Q9NYA1 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 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
SCHEMBL2380328 1.00 IMPDH2 (0.39) IMPDH2HDAC8PTPN1NR1H2NR1H3
SCHEMBL16635559 0.89 IMPDH2 (0.39) IMPDH2HDAC8PTPN1NR1H2NR1H3
SCHEMBL16774639 0.89 IMPDH2 (0.39) IMPDH2HDAC8PTPN1NR1H2NR1H3
SCHEMBL16647818 0.89 IMPDH2 (0.39) IMPDH2HDAC8PTPN1NR1H2NR1H3
SCHEMBL16774503 0.89 IMPDH2 (0.39) IMPDH2HDAC8PTPN1NR1H2NR1H3
SCHEMBL16774547 0.88 HDAC8 (0.40) IMPDH2HDAC8PTPN1NR1H2NR1H3
SCHEMBL16774546 0.88 HDAC8 (0.40) IMPDH2HDAC8PTPN1NR1H2NR1H3
SCHEMBL5512726 0.87 HDAC8 (0.38) IMPDH2HDAC8PTPN1NR1H2NR1H3
SCHEMBL5519090 0.87 HDAC8 (0.38) IMPDH2HDAC8PTPN1NR1H2NR1H3
SCHEMBL22123735 0.86 HSD17B10 (0.39) HDAC8NR1H2SMN1; SMN2EPHX2SPHK1

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-20240239771-A1 BACTERIAL EFFLUX PUMP INHIBITORS TAXIS PHARMACEUTICALS, INC. 2024-07-18 — — 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-8729077-B2 Anti-viral compounds, compositions, and methods of use GLAXOSMITHKLINE LLC (US) 2014-05-20 — — US disclosed
US-8729077-B2 Anti-viral compounds, compositions, and methods of use GLAXOSMITHKLINE LLC (US) 2014-05-20 — — US disclosed
US-20110224211-A1 Anti-Viral Compounds, Compositions, And Methods Of Use GLAXOSMITHKLINE LLC 2011-09-15 — — US disclosed
WO-2010062821-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GLAXOSMITHKLINE LLC (US) 2010-06-03 — — 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 IMPDH2 3317/4885HDAC8 1732/4885PTPN1 2070/4885
US-20180118680-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 IMPDH2 3317/4885HDAC8 1732/4885PTPN1 2070/4885
US-20110224211-A1 Anti-Viral Compounds, Compositions, And Methods Of Use HAVCR2, SARS1, MAVS IMPDH2 2139/4885HDAC8 1806/4885PTPN1 2134/4885
US-20240239771-A1 BACTERIAL EFFLUX PUMP INHIBITORS ABCB11, ABCB1, SLC47A1 IMPDH2 868/4885HDAC8 2359/4885PTPN1 3079/4885

“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.