SCHEMBL5059323

SCHEMBL5059323

CCN(C(C)C)C(C)C.CS(=O)(=O)O

nearest known ligand 0.33

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.33
GRIA1 P42261 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CA2 P00918 1/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
Sulfuric Acid SCHEMBL16910001 0.92 TP53 (0.39) TP53MEN1KMT2A
SCHEMBL28150851 0.82 TP53 (0.30) TP53
Methyl Alcohol SCHEMBL2652388 0.82 MEN1 (0.38) MEN1KMT2A
SCHEMBL7097725 0.82
SCHEMBL5544690 0.82 MEN1 (0.42) MEN1KMT2A
SCHEMBL1746 0.82
Trifluoromethanesulfonic Acid SCHEMBL628113 0.80 EPHX1 (0.31)
Bicarbonate SCHEMBL27506741 0.80 FFAR3 (0.35) TP53MEN1KMT2AHDAC1HDAC8
SCHEMBL28327980 0.80 MEN1 (0.33) MEN1KMT2A
Isopropyl Alcohol SCHEMBL28105402 0.79 ALDH1A1 (0.40) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3630848-B1 PROCESS FOR GALNAC OLIGONUCLEOTIDE CONJUGATES HOFFMANN LA ROCHE (CH) 2023-10-04 EP disclosed
CN-110621700-B Method for GalNAc oligonucleotide conjugates 豪夫迈·罗氏有限公司 2023-08-18 CN disclosed
CN-107709342-B Process for preparing acetylgalactosamine acid derivatives 豪夫迈·罗氏有限公司 2021-09-03 CN disclosed
CN-108738321-B GalNAc cluster phosphoramidites 豪夫迈·罗氏有限公司 2021-06-11 CN disclosed
US-11021503-B2 Process for GalNAc oligonucleotide conjugates HOFFMANN-LA ROCHE INC. (US) 2021-06-01 US disclosed
CN-108738321-A9 GalNAc cluster phosphoramidites 豪夫迈·罗氏有限公司 2021-01-29 CN disclosed
EP-3377510-B1 GALNAC CLUSTER PHOSPHORAMIDITE HOFFMANN LA ROCHE (CH) 2020-12-02 EP disclosed
US-10590156-B2 Galnac cluster phosphoramidite HOFFMANN-LA ROCHE INC. (US) 2020-03-17 US disclosed
US-20200079807-A1 PROCESS FOR GALNAC OLIGONUCLEOTIDE CONJUGATES HOFFMANN-LA ROCHE INC. (US) 2020-03-12 US disclosed
CN-110621700-A Methods for GalNAc oligonucleotide conjugates 豪夫迈·罗氏有限公司 2019-12-27 CN disclosed
CN-106715435-B Pyrrolopyrimidine derivatives as NR2B nmda receptor antagonist 卢郡控股(开曼)有限公司 2019-10-01 CN disclosed
US-20180258122-A1 GALNAC CLUSTER PHOSPHORAMIDITE HOFFMANN-LA ROCHE INC. (US) 2018-09-13 US disclosed
CN-101346379-A Per-cyclic tricyclic compounds useful as antibacterial agents GLAXO GROUP LTD (GB) 2009-01-14 CN disclosed
US-20080070795-A1 LINKER COMPOUND, PROBE, AND PROBE-IMMOBILIZED CARRIER KYOTO UNIVERSITY (JP) 2008-03-20 US disclosed
EP-1857461-A1 LINKER COMPOUND, PROBE, AND CARRIER HAVING PROBE IMMOBILIZED THEREON Kyoto University (JP) 2007-11-21 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-20200079807-A1 PROCESS FOR GALNAC OLIGONUCLEOTIDE CONJUGATES CSGALNACT1, ALG1, ALG8 TP53 2872/4885GRIA1 527/4885MEN1 3053/4885
US-20180258122-A1 GALNAC CLUSTER PHOSPHORAMIDITE B4GALT1, FUT5, FUT6 TP53 1792/4885GRIA1 249/4885MEN1 699/4885
US-11021503-B2 Process for GalNAc oligonucleotide conjugates CSGALNACT1, ALG1, ALG8 TP53 2872/4885GRIA1 527/4885MEN1 3053/4885
US-20080070795-A1 LINKER COMPOUND, PROBE, AND PROBE-IMMOBILIZED CARRIER SLC2A1, GPI, SLC2A4 TP53 4475/4885GRIA1 491/4885MEN1 1803/4885
US-10590156-B2 Galnac cluster phosphoramidite B4GALT1, FUT5, FUT6 TP53 1792/4885GRIA1 249/4885MEN1 699/4885

“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.