Sugi Predict

Sugi Predict / Compounds / SCHEMBL2248123

SCHEMBL2248123

SCHEMBL2248123

CC(=O)O[C@@H]1C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.39
▸ UCHL1 P09936 1/20 0.39
▸ ATM Q13315 1/20 0.38
▸ NR1H2 P55055 1/20 0.36
▸ CHRM2 P08172 3/20 0.36
▸ CHRM1 P11229 3/20 0.36
▸ CHRM3 P20309 3/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CHRM4 P08173 2/20 0.35
▸ CHRM5 P08912 2/20 0.35
▸ HTRA1 Q92743 1/20 0.34
▸ MCL1 Q07820 2/20 0.34
▸ HSD11B1 P28845 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ BTK Q06187 1/20 0.33

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
SCHEMBL13375877 1.00 HSD17B10 (0.39) HSD17B10UCHL1ATMNR1H2CHRM2
SCHEMBL3843496 1.00 HSD17B10 (0.39) HSD17B10UCHL1ATMNR1H2CHRM2
SCHEMBL12435224 0.90 HSD17B10 (0.40) HSD17B10UCHL1ATMNR1H2CHRM2
SCHEMBL16397804 0.86 HSD17B10 (0.36) HSD17B10UCHL1ATMNR1H2CHRM2
SCHEMBL16397537 0.86 HSD17B10 (0.36) HSD17B10UCHL1ATMNR1H2CHRM2
SCHEMBL16397763 0.86 HSD17B10 (0.36) HSD17B10UCHL1ATMNR1H2CHRM2
SCHEMBL16397507 0.86 HSD17B10 (0.36) HSD17B10UCHL1ATMNR1H2CHRM2
SCHEMBL6847863 0.86 MMP2 (0.42) UCHL1NR1H2CHRM2CHRM1CHRM3
SCHEMBL30556843 0.86 MMP2 (0.42) UCHL1NR1H2CHRM2CHRM1CHRM3
SCHEMBL6847866 0.86 MMP2 (0.42) UCHL1NR1H2CHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113735845-A Androgen receptor degradation agent and application thereof 梅德盛 2021-12-03 — — CN disclosed
EP-3916003-A1 N-METHYL-D-ASPARTATE RECEPTOR MODULATORS AND METHODS OF MAKING AND USING SAME Naurex, Inc. (US) 2021-12-01 — — EP disclosed
EP-3171941-B1 N-METHYL-D-ASPARTATE RECEPTOR MODULATORS AND METHODS OF MAKING AND USING SAME NAUREX INC (US) 2021-03-24 — — EP disclosed
US-20180258139-A1 N-METHYL-D-ASPARTATE RECEPTOR MODULATORS AND METHODS OF MAKING AND USING SAME NAUREX INC (US) 2018-09-13 — — US disclosed
US-9994614-B2 N-methyl-D-aspartate receptor modulators and methods of making and using same NAUREX, INC. (US) 2018-06-12 — — US disclosed
US-20170210779-A1 N-METHYL-D-ASPARTATE RECEPTOR MODULATORS AND METHODS OF MAKING AND USING SAME NAUREX INC (US) 2017-07-27 — — US disclosed
EP-3171941-A1 N-METHYL-D-ASPARTATE RECEPTOR MODULATORS AND METHODS OF MAKING AND USING SAME Naurex Inc. (US) 2017-05-31 — — EP disclosed
WO-2016014982-A1 N-METHYL-D-ASPARTATE RECEPTOR MODULATORS AND METHODS OF MAKING AND USING SAME NAUREX, INC. (US) 2016-01-28 — — WO disclosed
WO-2016014982-A1 N-METHYL-D-ASPARTATE RECEPTOR MODULATORS AND METHODS OF MAKING AND USING SAME NAUREX, INC. (US) 2016-01-28 — — WO disclosed
US-8815796-B2 Polyheterocyclic compounds highly potent as HCV inhibitors AB Pharma Ltd. (CN) 2014-08-26 — — US disclosed
US-8653025-B2 Polyheterocyclic compounds highly potent as HCV inhibitors AB Pharma Ltd. (CN) 2014-02-18 — — US disclosed
EP-1844022-B1 QUINAZOLINE DERIVATIVES FOR INHIBITING CANCER CELL GROWTH AND METHOD FOR THE PREPARATION THEREOF HANMI SCIENCE CO LTD (KR) 2013-08-14 — — EP disclosed
US-8003658-B2 Quinazoline derivatives for inhibiting cancer cell growth and method for the preparation thereof HANMI HOLDINGS CO., LTD. (KR) 2011-08-23 — — US disclosed
US-20110183895-A1 POLYHETEROCYCLIC COMPOUNDS HIGHLY POTENT AS HCV INHIBITORS AB Pharma Ltd. (CN) 2011-07-28 — — US disclosed
US-20080009509-A1 Quinazoline Derivatives For Inhibiting Cancer Cell Growth And Method For The Preparation Thereof HANMI PHARM CO., LTD (KR) 2008-01-10 — — US disclosed
US-20070232601-A1 Vla-4 Inhibitor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-10-04 — — US disclosed
US-20070232601-A1 Vla-4 Inhibitor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-10-04 — — US disclosed
US-20070232601-A1 Vla-4 Inhibitor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-10-04 — — US disclosed
EP-1757602-A1 VLA-4 INHIBITOR DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 — — EP 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 (5 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-20180258139-A1 N-METHYL-D-ASPARTATE RECEPTOR MODULATORS AND METHODS OF MAKING AND USING SAME GRIN1, GRIN2A, GRIN3A HSD17B10 4128/4885UCHL1 1160/4885ATM 3114/4885
US-20070232601-A1 Vla-4 Inhibitor VCAM1, ITGB4, ITGA4 HSD17B10 3097/4885UCHL1 4517/4885ATM 4472/4885
US-20110183895-A1 POLYHETEROCYCLIC COMPOUNDS HIGHLY POTENT AS HCV INHIBITORS HAVCR2, ZC3HAV1, EIF2AK2 HSD17B10 591/4885UCHL1 1392/4885ATM 4818/4885
US-20080009509-A1 Quinazoline Derivatives For Inhibiting Cancer Cell Growth And Method For The Preparation Thereof MKI67, NQO2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 HSD17B10 3249/4885UCHL1 3034/4885ATM 2878/4885
US-20170210779-A1 N-METHYL-D-ASPARTATE RECEPTOR MODULATORS AND METHODS OF MAKING AND USING SAME GRIN1, GRIN2A, GRIN3A HSD17B10 4128/4885UCHL1 1160/4885ATM 3114/4885

“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.