SCHEMBL1024057

SCHEMBL1024057

CC(C)(C)OC(=O)N1COC[C@H]1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
USP2 O75604 1/20 0.41
RECQL P46063 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
BTK Q06187 1/20 0.36
ALDH1A1 P00352 1/20 0.34
FKBP1A P62942 1/20 0.34
NR1H2 P55055 1/20 0.33
KLK7 P49862 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
SCHEMBL6448272 1.00 HSD17B10 (0.43) HSD17B10SMN1; SMN2USP2RECQLCHRM2
SCHEMBL17031907 0.87 USP2 (0.41) HSD17B10SMN1; SMN2USP2RECQLCHRM2
SCHEMBL1021180 0.85 USP2 (0.40) HSD17B10SMN1; SMN2USP2RECQLCHRM2
SCHEMBL6465932 0.85 USP2 (0.40) HSD17B10SMN1; SMN2USP2RECQLCHRM2
SCHEMBL8892617 0.84 PTPN1 (0.41) HSD17B10SMN1; SMN2USP2RECQLCHRM2
SCHEMBL31716576 0.84 PTPN1 (0.41) HSD17B10SMN1; SMN2USP2RECQLCHRM2
SCHEMBL186174 0.84 SMN1; SMN2 (0.50) HSD17B10SMN1; SMN2USP2RECQLFKBP1A
SCHEMBL154453 0.84 SMN1; SMN2 (0.50) HSD17B10SMN1; SMN2USP2RECQLFKBP1A
SCHEMBL185522 0.84 SMN1; SMN2 (0.50) HSD17B10SMN1; SMN2USP2RECQLFKBP1A
SCHEMBL6466005 0.83 SMN1; SMN2 (0.38) HSD17B10SMN1; SMN2USP2RECQLCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115160306-B Synthetic method of telithromycin intermediate 上海皓鸿生物医药科技有限公司 2024-03-26 CN disclosed
CN-117603152-A Novel chiral binuclear rhodium complex and preparation method and application thereof 肇庆学院 2024-02-27 CN disclosed
CN-115160306-A Synthetic method of trientine intermediate 上海皓鸿生物医药科技有限公司 2022-10-11 CN disclosed
CN-113277991-B Nitrogen heterocyclic ring amino derivative, preparation method thereof and anti-HIV-1 drug 中国医学科学院医药生物技术研究所 2022-07-12 CN disclosed
CN-114044800-A Aryl, heteroaryl and heterocyclic compounds for the treatment of medical disorders 艾其林医药公司 2022-02-15 CN disclosed
CN-113277991-A Nitrogen heterocyclic ring amino derivative, preparation method thereof and anti-HIV-1 drug 中国医学科学院医药生物技术研究所 2021-08-20 CN disclosed
US-20110118305-A1 COMPOUNDS SANOFI-AVENTIS (FR) 2011-05-19 US disclosed
EP-1517907-B1 AZABICYCLO-OCTANE AND NONANE DERIVATIVES WITH DDP-IV INHIBITING ACTIVITY SANOFI AVENTIS (FR) 2011-01-12 EP disclosed
US-7781455-B2 Compounds SANOFI-AVENTIS (FR) 2010-08-24 US disclosed
US-20100160328-A1 NEW COMPOUNDS USEFUL FOR DPP-IV ENZYME INHIBITION SANOFI-AVENTIS (FR) 2010-06-24 US disclosed
US-7169932-B2 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses, material for their synthesis PFIZER INC. (US) 2007-01-30 US disclosed
US-20070021354-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis CANAN KOCH STACIE S 2007-01-25 US disclosed
US-20070021354-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis CANAN KOCH STACIE S 2007-01-25 US disclosed
EP-1739082-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis Agouron Pharmaceuticals , Inc. (US) 2007-01-03 EP disclosed
US-20060276487-A1 New compounds useful for DPP-IV enzyme inhibition SANOFI-AVENTIS (FR) 2006-12-07 US disclosed
CN-1662530-A Azabicyclo-octane and nonane derivatives with DPP-IV inhibiting activity SANOFI SYNTHELABO (FR) 2005-08-31 CN disclosed
US-20050153973-A1 (4R)-3-(2-{[8-(2-Pyrimidinyl)-8-azabicyclo[3.2.1]oct-3-yl]exo-amino}acetyl)thiazolidine-4-carbonitrile; enzyme inhibitors; diabetes SANOFI-AVENTIS (FR) 2005-07-14 US disclosed
US-20050107419-A1 Condensed heterocyclic compounds as calcitonin agonists SMITHKLINE BEECHAM CORPORATION 2005-05-19 US disclosed
US-6645939-B1 Very late antigen-4 (VLA) integrin antagonists; antiallergens, antiasthmatics, and antiinflammatory agents; multiple sclerosis, autoimmune disease treatment MERCK & CO., INC. 2003-11-11 US disclosed
WO-2003076440-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS CALCITONIN AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-18 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 (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-20070021354-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis SERPINB1, PEPD, PREP HSD17B10 962/4885SMN1; SMN2 3932/4885USP2 1237/4885
US-20050107419-A1 Condensed heterocyclic compounds as calcitonin agonists CALCRL, CALCR, CALCB HSD17B10 3475/4885SMN1; SMN2 2254/4885USP2 3490/4885
US-20050153973-A1 (4R)-3-(2-{[8-(2-Pyrimidinyl)-8-azabicyclo[3.2.1]oct-3-yl]exo-amino}acetyl)thiazolidine-4-carbonitrile; enzyme inhibitors; diabetes DPP4, DPP8, DPP3 HSD17B10 2506/4885SMN1; SMN2 4633/4885USP2 1710/4885
US-20110118305-A1 COMPOUNDS DPP4, DPP3, DPP8 HSD17B10 1163/4885SMN1; SMN2 4066/4885USP2 1253/4885
US-20060276487-A1 New compounds useful for DPP-IV enzyme inhibition DPP4, DPP7, DPP9 HSD17B10 428/4885SMN1; SMN2 4097/4885USP2 1401/4885
US-20100160328-A1 NEW COMPOUNDS USEFUL FOR DPP-IV ENZYME INHIBITION DPP4, DPP7, DPP9 HSD17B10 428/4885SMN1; SMN2 4097/4885USP2 1401/4885

“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.