Sugi Predict

Sugi Predict / Compounds / SCHEMBL1318992

SCHEMBL1318992

SCHEMBL1318992

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ SRC P12931 4/20 0.32
▸ PARP1 P09874 1/20 0.32
▸ ATM Q13315 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C19 P33261 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
SCHEMBL17013204 0.86 NR1H2 (0.39) NR1H2MEN1KMT2AHSD17B10RECQL
SCHEMBL17013205 0.84 NR1H2 (0.40) NR1H2MEN1KMT2AHSD17B10RECQL
SCHEMBL14636625 0.83 NR1H2 (0.42) NR1H2ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL22079229 0.83 NR1H2 (0.42) NR1H2ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL30427255 0.83 NR1H2 (0.42) NR1H2ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL20051537 0.83 NR1H2 (0.42) NR1H2ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL14636624 0.83 NR1H2 (0.42) NR1H2ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL15920678 0.83 NR1H2 (0.42) NR1H2ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL29017250 0.83 NR1H2 (0.42) NR1H2ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL15577870 0.82 NR1H2 (0.36) NR1H2ALDH1A1MEN1KMT2ASRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9315475-B2 HIV protease inhibitors MERCK SHARP & DOHME CORP. (US) 2016-04-19 — — US disclosed
EP-2362775-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-08-05 — — EP disclosed
US-20140200197-A1 HIV PROTEASE INHIBITORS MERCK SHARP & DOHME LLC 2014-07-17 — — US disclosed
US-8697685-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2014-04-15 — — US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 — — US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 — — US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 — — US disclosed
WO-2010059658-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-05-27 — — 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 (2 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-20110275611-A1 CHEMICAL COMPOUNDS PDK1, PDK2, PDK3 NR1H2 975/4885ALDH1A1 873/4885MEN1 3863/4885
US-20140200197-A1 HIV PROTEASE INHIBITORS SERPINB1, PREP, PRSS1 NR1H2 2659/4885ALDH1A1 2437/4885MEN1 4390/4885

“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.