SCHEMBL27230

SCHEMBL27230

COC(=O)CC(CC(=O)OC)OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.48
HSD17B10 Q99714 3/20 0.43
MGAM O43451 2/20 0.43
GAA P10253 2/20 0.43
SI P14410 2/20 0.43
MGAM2 Q2M2H8 2/20 0.43
KMT2A Q03164 2/20 0.36
TET2 Q6N021 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 2/20 0.34
CA12 O43570 2/20 0.34
CA14 Q9ULX7 2/20 0.34
KDM4E B2RXH2 1/20 0.34
RECQL P46063 1/20 0.34
MAPT P10636 4/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HTT P42858 2/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 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
SCHEMBL15382406 0.91 TSHR (0.41) TSHRHSD17B10MGAMGAASI
SCHEMBL24242028 0.91 MGAM (0.48) TSHRHSD17B10MGAMGAASI
SCHEMBL3193802 0.91 TSHR (0.41) TSHRHSD17B10MGAMGAASI
SCHEMBL9620366 0.87 TSHR (0.42) TSHRHSD17B10MGAMGAASI
SCHEMBL24241946 0.87 GAA (0.50) TSHRHSD17B10MGAMGAASI
SCHEMBL24242139 0.87 LMNA (0.38) TSHRHSD17B10MGAMGAASI
SCHEMBL24242004 0.87 TSHR (0.37) TSHRHSD17B10MGAMGAASI
SCHEMBL31571289 0.85 TSHR (0.40) TSHRHSD17B10MGAMGAASI
SCHEMBL8063540 0.84 TSHR (0.39) TSHRHSD17B10MGAMGAASI
SCHEMBL22485290 0.82 MEN1 (0.44) TSHRHSD17B10KMT2AMEN1LMNA

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-114349633-A Process for the preparation of diesters of glutaconic acid 华烁科技股份有限公司 2022-04-15 CN disclosed
EP-3728235-B1 SUBSTITUTED THIOPHENYLURACILS , THEIR SALTS AND USE OF SAID COMPOUNDS AS HERBICIDAL AGENTS SYNGENTA CROP PROTECTION AG (CH) 2022-02-09 EP disclosed
CN-108358783-B 3-substituted glutaric diester and preparation method of glutaconic diester 华烁科技股份有限公司 2021-04-06 CN disclosed
US-10336717-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, LLC (US) 2019-07-02 US disclosed
US-10336717-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, LLC (US) 2019-07-02 US disclosed
US-20160272600-A1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, LLC 2016-09-22 US disclosed
US-20160272600-A1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, LLC 2016-09-22 US disclosed
US-20160272600-A1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, LLC 2016-09-22 US disclosed
EP-2406240-B1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS INC (US) 2015-12-23 EP disclosed
EP-2406240-B1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS INC (US) 2015-12-23 EP disclosed
US-8633212-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2014-01-21 US disclosed
US-8633212-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2014-01-21 US disclosed
EP-2406240-A2 INHIBITORS OF BETA-SECRETASE Vitae Pharmaceuticals, Inc. (US) 2012-01-18 EP disclosed
US-20110071126-A1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. 2011-03-24 US disclosed
US-20110071126-A1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. 2011-03-24 US disclosed
US-20110071126-A1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. 2011-03-24 US disclosed
WO-2010121769-A2 PROCESS FOR THE PREPARATION OF DIALKYL 3-ALKOXYGLUTARATES LONZA LTD (CH) 2010-10-28 WO disclosed
WO-2010121768-A1 PROCESS FOR THE PREPARATION OF DIALKYL GLUTACONATES LONZA LTD (CH) 2010-10-28 WO disclosed
WO-2010105179-A2 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. (US) 2010-09-16 WO disclosed
WO-2010105179-A2 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. (US) 2010-09-16 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 (3 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-10336717-B2 Inhibitors of beta-secretase BACE1, BACE2, PSEN1 TSHR 4800/4885HSD17B10 834/4885MGAM 1126/4885
US-20160272600-A1 INHIBITORS OF BETA-SECRETASE BACE1, BACE2, PSEN1 TSHR 4800/4885HSD17B10 834/4885MGAM 1126/4885
US-20110071126-A1 INHIBITORS OF BETA-SECRETASE BACE1, BACE2, PSEN1 TSHR 4800/4885HSD17B10 834/4885MGAM 1126/4885

“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.