Sugi Predict

Sugi Predict / Compounds / SCHEMBL2008100

SCHEMBL2008100

SCHEMBL2008100

CC(NC(=O)OC(C)(C)C)c1cccc(O)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 3/20 0.47
▸ CTSS P25774 1/20 0.44
▸ MAPKAPK2 P49137 1/20 0.43
▸ GABRB1 P18505 1/20 0.42
▸ GABRB2 P47870 1/20 0.42
▸ NQO2 P16083 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ ADRB1 P08588 1/20 0.41
▸ MIF P14174 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SIRT5 Q9NXA8 1/20 0.40
▸ GLS O94925 2/20 0.40

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
SCHEMBL781623 1.00 CTSK (0.47) CTSKCTSSMAPKAPK2GABRB1GABRB2
SCHEMBL6487442 1.00 CTSK (0.47) CTSKCTSSMAPKAPK2GABRB1GABRB2
SCHEMBL19479409 0.85 CTSK (0.47) CTSKCTSSGABRB1GABRB2TSHR
SCHEMBL30352836 0.85 ADRB1 (0.48) CTSKCTSSGABRB1GABRB2NQO2
SCHEMBL10906526 0.85 ADRB1 (0.48) CTSKCTSSGABRB1GABRB2NQO2
SCHEMBL30082809 0.85 ADRB1 (0.48) CTSKCTSSGABRB1GABRB2NQO2
SCHEMBL9904174 0.84 ALDH1A1 (0.51) CTSKCTSS
SCHEMBL506444 0.84 CTSK (0.49) CTSKCTSSGABRB1GABRB2TSHR
SCHEMBL22851708 0.84 CTSK (0.46) CTSKCTSSMAPKAPK2GABRB1GABRB2
SCHEMBL5849869 0.84 ALDH1A1 (0.51) CTSKCTSS

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023129564-A9 DEGRADERS OF GRK2 AND USES THEREOF CYGNAL THERAPEUTICS, INC. (US) 2024-02-08 — — WO disclosed
WO-2023129564-A1 DEGRADERS OF GRK2 AND USES THEREOF CYGNAL THERAPEUTICS, INC. (US) 2023-07-06 — — WO disclosed
US-10112931-B2 3-pyrimidin-4-yl-oxazolidin-2-ones as inhibitors of mutant IDH NOVARTIS AG (CH) 2018-10-30 — — US disclosed
US-20180051015-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2018-02-22 — — US disclosed
EP-2970240-B1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2018-01-10 — — EP disclosed
EP-2771337-B1 3-(PYRIMIDIN-4-YL)-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2017-08-02 — — EP disclosed
EP-2771337-B1 3-(PYRIMIDIN-4-YL)-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2017-08-02 — — EP disclosed
US-9688672-B2 3-pyrimidin-4-yl-oxazolidin-2-ones as inhibitors of mutant IDH NOVARTIS AG (CH) 2017-06-27 — — US disclosed
US-20160318915-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2016-11-03 — — US disclosed
US-9434719-B2 3-pyrimidin-4-yl-oxazolidin-2-ones as inhibitors of mutant IDH NOVARTIS AG (CH) 2016-09-06 — — US disclosed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 — — US disclosed
WO-2013046136-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2013-04-04 — — WO disclosed
US-7960365-B2 Compounds with medicinal effects due to interaction with the glucocorticoid receptor N.V. ORGANON (NL) 2011-06-14 — — US disclosed
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS INCYTE CORPORATION (US) 2010-09-23 — — US disclosed
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS INCYTE CORPORATION (US) 2010-09-23 — — US disclosed
US-20070149577-A1 Compounds with medicinal effects due to interaction with the glucocorticoid receptor N.V. ORGANON (NL) 2007-06-28 — — US disclosed
EP-1581498-A2 PYRIDINYL, PYRIMIDINYL AND PYRAZINYL AMIDES AS POTASSIUM CHANNEL OPENERS Bristol-Myers Squibb Company (US) 2005-10-05 — — EP disclosed
US-6900210-B2 Pyridinyl, pyrimidinyl and pyrazinyl amides as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY (US) 2005-05-31 — — US disclosed
WO-2004047739-A2 PYRIDINYL, PYRIMIDINYL AND PYRAZINYL AMIDES AS POTASSIUM CHANNEL OPENERS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-10 — — WO disclosed
US-20040102449-A1 Pyridinyl, pyrimidinyl and pyrazinyl amides as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY 2004-05-27 — — 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 (6 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-20070149577-A1 Compounds with medicinal effects due to interaction with the glucocorticoid receptor NR3C1, NR3C2, MC2R CTSK 4682/4885CTSS 4317/4885MAPKAPK2 3051/4885
US-20040102449-A1 Pyridinyl, pyrimidinyl and pyrazinyl amides as potassium channel openers KCNQ5, KCNQ2, KCNQ3 CTSK 2837/4885CTSS 3398/4885MAPKAPK2 1236/4885
US-20180051015-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH IDH1, IDH3B, IDH3A CTSK 4789/4885CTSS 4748/4885MAPKAPK2 2522/4885
US-20160318915-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH IDH1, IDH3B, IDH3A CTSK 4789/4885CTSS 4748/4885MAPKAPK2 2522/4885
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS HRH4, HRH2, HRH1 CTSK 1705/4885CTSS 2141/4885MAPKAPK2 1912/4885
US-10112931-B2 3-pyrimidin-4-yl-oxazolidin-2-ones as inhibitors of mutant IDH IDH1, IDH3B, IDH3A CTSK 4789/4885CTSS 4748/4885MAPKAPK2 2522/4885

“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.