SCHEMBL789367

SCHEMBL789367

CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@H]1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.41
HDAC8 Q9BY41 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
EPHX2 P34913 1/20 0.34
RORC P51449 2/20 0.33
USP2 O75604 1/20 0.33
NR1H2 P55055 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
SCHEMBL19067148 1.00 HSD17B10 (0.41) HSD17B10HDAC8SMN1; SMN2CHRM2CHRM1
SCHEMBL1509061 1.00 HSD17B10 (0.41) HSD17B10HDAC8SMN1; SMN2CHRM2CHRM1
SCHEMBL18094067 1.00 HSD17B10 (0.41) HSD17B10HDAC8SMN1; SMN2CHRM2CHRM1
SCHEMBL19388647 1.00 HSD17B10 (0.41) HSD17B10HDAC8SMN1; SMN2CHRM2CHRM1
SCHEMBL875540 1.00 HSD17B10 (0.41) HSD17B10HDAC8SMN1; SMN2CHRM2CHRM1
SCHEMBL19131391 1.00 HSD17B10 (0.41) HSD17B10HDAC8SMN1; SMN2CHRM2CHRM1
SCHEMBL15116723 0.88 HDAC8 (0.37) HSD17B10HDAC8SMN1; SMN2CHRM2CHRM1
SCHEMBL20054341 0.88 HDAC8 (0.37) HSD17B10HDAC8SMN1; SMN2CHRM2CHRM1
SCHEMBL15776914 0.86 CNR2 (0.38) HSD17B10HDAC8SMN1; SMN2CHRM2CHRM1
SCHEMBL15776913 0.86 CNR2 (0.38) HSD17B10HDAC8SMN1; SMN2CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4211116-A1 NOVEL HETEROCYCLIC ANTIBIOTICS F. Hoffmann-La Roche AG (CH) 2023-07-19 EP disclosed
CN-116096709-A Novel heterocyclic antibiotics 豪夫迈·罗氏有限公司 2023-05-09 CN disclosed
EP-4093734-A1 NOVEL HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2022-11-30 EP disclosed
CN-114981259-A Novel heterocyclic compound 豪夫迈·罗氏有限公司 2022-08-30 CN disclosed
US-20200270303-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2020-08-27 US disclosed
US-20190263860-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2019-08-29 US disclosed
US-20180162905-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2018-06-14 US disclosed
US-20170204110-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB, LLC 2017-07-20 US disclosed
US-20170204110-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB, LLC 2017-07-20 US disclosed
WO-2017117239-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB, LLC (US) 2017-07-06 WO disclosed
US-20170088583-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2017-03-30 US disclosed
US-20170088583-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2017-03-30 US disclosed
EP-2618831-B1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2016-01-06 EP disclosed
US-9220748-B2 Macrocyclic proline derived HCV serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-12-29 US disclosed
US-9220748-B2 Macrocyclic proline derived HCV serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-12-29 US disclosed
US-20140194350-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2014-07-10 US disclosed
US-20140194350-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2014-07-10 US disclosed
WO-2012040167-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2012-03-29 WO disclosed
US-20120070416-A1 Macrocyclic Proline Derived HCV Serine Protease Inhibitors ENANTA PHARMACEUTICALS, INC. 2012-03-22 US disclosed
US-20120070416-A1 Macrocyclic Proline Derived HCV Serine Protease Inhibitors ENANTA PHARMACEUTICALS, INC. 2012-03-22 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 (7 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-20170088583-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS PREP, PRSS1, PEPD HSD17B10 1161/4885HDAC8 1509/4885SMN1; SMN2 3187/4885
US-20190263860-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS PREP, PRSS1, PEPD HSD17B10 1161/4885HDAC8 1509/4885SMN1; SMN2 3187/4885
US-20120070416-A1 Macrocyclic Proline Derived HCV Serine Protease Inhibitors PREP, PRSS1, PEPD HSD17B10 1161/4885HDAC8 1509/4885SMN1; SMN2 3187/4885
US-20200270303-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS PREP, PRSS1, PEPD HSD17B10 1161/4885HDAC8 1509/4885SMN1; SMN2 3187/4885
US-20140194350-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS PREP, PRSS1, PEPD HSD17B10 1161/4885HDAC8 1509/4885SMN1; SMN2 3187/4885
US-20170204110-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, SERPINB1, ELANE HSD17B10 552/4885HDAC8 2213/4885SMN1; SMN2 3096/4885
US-20180162905-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS PREP, PRSS1, PEPD HSD17B10 1161/4885HDAC8 1509/4885SMN1; SMN2 3187/4885

“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.