SCHEMBL18926552

SCHEMBL18926552

Cc1ccc(S(=O)(=O)OCCCc2ccccc2CCCOS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMD10 O75832 1/20 0.45
ALDH1A1 P00352 3/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CYP24A1 Q07973 2/20 0.44
VDR P11473 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
RECQL P46063 1/20 0.40
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 1/20 0.39
STAT3 P40763 1/20 0.39
MCHR1 Q99705 1/20 0.39

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
SCHEMBL18926562 0.94 CNR2 (0.44) PSMD10ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL7324405 0.90 MGLL (0.44) PSMD10CYP24A1VDRMEN1KMT2A
SCHEMBL11272133 0.90 TP53 (0.49) PSMD10ALDH1A1CYP24A1VDRMEN1
SCHEMBL7655861 0.90 ALDH1A1 (0.46) PSMD10ALDH1A1CYP24A1VDRMEN1
SCHEMBL7028389 0.86 CNR2 (0.50) PSMD10ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL23727436 0.86 LMNA (0.45) PSMD10ALDH1A1CYP3A4CYP24A1VDR
SCHEMBL30125726 0.86 LMNA (0.45) PSMD10ALDH1A1CYP3A4CYP24A1VDR
SCHEMBL483847 0.84 ALDH1A1 (0.50) PSMD10ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL890725 0.84 ALDH1A1 (0.50) PSMD10ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL18934371 0.83 ALDH1A1 (0.47) PSMD10ALDH1A1CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111491891-B EMM-31 material, method and use thereof 埃克森美孚科技工程公司 2023-07-04 CN disclosed
EP-3728119-A1 EMM-31 MATERIALS AND PROCESSES AND USES THEREOF ExxonMobil Research and Engineering Company (US) 2020-10-28 EP disclosed
US-10710889-B2 EMM-31 materials and processes and uses thereof EXXONMOBIL RESEARCH & ENGINEERING COMPANY (US) 2020-07-14 US disclosed
US-20190194028-A1 EMM-31 MATERIALS AND PROCESSES AND USES THEREOF EXXONMOBIL RES & ENG CO (US) 2019-06-27 US disclosed
WO-2017095705-A1 EMM-28, A NOVEL SYNTHETIC CRYSTALLINE MATERIAL, ITS PREPARATION AND USE EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2017-06-08 WO disclosed
US-20170158521-A1 EMM-28, A NOVEL SYNTHETIC CRYSTALLINE MATERIAL, ITS PREPARATION AND USE EXXONMOBIL RESEARCH AND ENGINEERING COMPANY 2017-06-08 US disclosed
US-20170158521-A1 EMM-28, A NOVEL SYNTHETIC CRYSTALLINE MATERIAL, ITS PREPARATION AND USE EXXONMOBIL RESEARCH AND ENGINEERING COMPANY 2017-06-08 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 (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-20190194028-A1 EMM-31 MATERIALS AND PROCESSES AND USES THEREOF CD14, MASP2, FGB PSMD10 4303/4885ALDH1A1 4767/4885CYP3A4 2438/4885
US-20170158521-A1 EMM-28, A NOVEL SYNTHETIC CRYSTALLINE MATERIAL, ITS PREPARATION AND USE CD14, ERG28, DAP3 PSMD10 3980/4885ALDH1A1 4842/4885CYP3A4 1063/4885
US-10710889-B2 EMM-31 materials and processes and uses thereof CD14, MASP2, FGB PSMD10 4303/4885ALDH1A1 4767/4885CYP3A4 2438/4885

“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.