SCHEMBL536638

SCHEMBL536638

CC(C)(C)OC(=O)NNc1cccc(C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
MAPT P10636 2/20 0.51
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
GAA P10253 2/20 0.48
POLB P06746 1/20 0.47
MITF O75030 1/20 0.46
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HIF1A Q16665 1/20 0.44
EPAS1 Q99814 1/20 0.44
CA12 O43570 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
AKR1C3 P42330 2/20 0.43

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
SCHEMBL29378002 1.00 ALDH1A1 (0.51) ALDH1A1MAPTNPC1RAB9AMEN1
SCHEMBL7257964 0.87 RAB9A (0.51) ALDH1A1MAPTNPC1RAB9AMEN1
SCHEMBL5694862 0.86 MEN1 (0.43) ALDH1A1MAPTNPC1RAB9AMEN1
SCHEMBL29435026 0.85 HDAC3 (0.58) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL222876 0.85 HDAC3 (0.58) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL7439456 0.84 HDAC3 (0.57) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL4254852 0.82 GAA (0.60) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL13710304 0.82 GAA (0.51) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL31606834 0.82 GAA (0.63) ALDH1A1MAPTNPC1RAB9AMEN1
SCHEMBL8191789 0.82 RXFP1 (0.50) ALDH1A1MAPTNPC1RAB9AMEN1

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
US-20240000950-A1 THERAPEUTIC CURE-PRO COMPOUNDS FOR TARGETED DEGRADATION OF BET DOMAIN PROTEINS, AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY 2024-01-04 US disclosed
US-20230285570-A1 THERAPEUTICALLY USEFUL CURE-PRO MOLECULES FOR E3 LIGASE MEDIATED DEGRADATION OF PROTEINS, AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY 2023-09-14 US disclosed
US-20230277553-A1 THERAPEUTIC COMPOSITION OF CURE-PRO COMPOUNDS FOR TARGETED DEGRADATION OF BET DOMAIN PROTEINS, AND METHODS OF MAKING AND USAGE CORNELL UNIVERSITY 2023-09-07 US disclosed
EP-4192825-A2 THERAPEUTICALLY USEFUL CURE-PRO MOLECULES FOR E3 LIGASE MEDIATED DEGRADATION OF PROTEINS, AND METHODS OF MAKING AND USING THEM Cornell University (US) 2023-06-14 EP disclosed
EP-4192504-A2 THERAPEUTIC CURE-PRO COMPOUNDS FOR TARGETED DEGRADATION OF BET DOMAIN PROTEINS, AND METHODS OF MAKING AND USING THEM Cornell University (US) 2023-06-14 EP disclosed
CN-105408325-B cyanotriazole compounds 大塚制药株式会社 2019-10-22 CN disclosed
EP-2677318-B1 LABELING AGENT FOR POST-TRANSLATIONAL MODIFICATION ANALYSIS OF SERINE AND THREONINE CELLSEED INC (JP) 2016-10-05 EP disclosed
EP-2677318-B1 LABELING AGENT FOR POST-TRANSLATIONAL MODIFICATION ANALYSIS OF SERINE AND THREONINE CELLSEED INC (JP) 2016-10-05 EP disclosed
US-20140024124-A1 LABELING AGENT FOR ANALYZING POST-TRANSLATIONAL MODIFICATIONS OF SERINE AND THREONINE NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2014-01-23 US disclosed
EP-2677318-A1 LABELING AGENT FOR POST-TRANSLATIONAL MODIFICATION ANALYSIS OF SERINE AND THREONINE CellSeed Inc. (JP) 2013-12-25 EP disclosed
US-20100256104-A1 NOVEL AMIDE COMPOUNDS ASTRAZENECA R&D (SE) 2010-10-07 US disclosed
WO-2010114471-A1 NOVEL AMIDE DERIVATIVES OF STEROIDAL[3,2-C]PYRAZOLE COMPOUNDS WITH GLUCOCORTICOID ACTIVITY ASTRAZENECA AB (SE) 2010-10-07 WO disclosed
US-20100256104-A1 NOVEL AMIDE COMPOUNDS ASTRAZENECA R&D (SE) 2010-10-07 US disclosed
EP-0614898-B1 INDOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL USE THEREOF TORAY INDUSTRIES (JP) 2003-05-07 EP disclosed
US-6291470-B1 DELTA-OPIOID ANTAGONIST HAVING HIGH SELECTIVITY AND ACTIVITY, THAT EXHIBITS IMMUNOSUPPRESSIVE ACTION, ANTIALLERGIC ACTION, ANTI-INFLAMMATORY ACTION AND BRAIN CELL-PROTECTING ACTION TORAY INDUSTRIES, INC. (JP) 2001-09-18 US disclosed
US-6087369-A AN IMMUNOSUPPRESSIVE AGENT, ANTIALLERGIC AGENT, ANTI-INFLAMMATORY AGENT AND BRAIN CELL-PROTECTING AGENT TORAY INDUSTRIES, LTD. (JP) 2000-07-11 US disclosed
CN-1043766-C Indole derivative and preparation and pharmaceutical using of same TORAY INDUSTRIES (JP) 1999-06-23 CN disclosed
US-5852030-A Indole derivatives, process for producing the same and medicinal uses of the same TORAY INDUSTRIES, INC. (JP) 1998-12-22 US disclosed
CN-1092425-A Indole derivatives, its manufacture method and medicinal use thereof TORAY INDUSTRIES (JP) 1994-09-21 CN disclosed
EP-0614898-A1 INDOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 1994-09-14 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 (4 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-20240000950-A1 THERAPEUTIC CURE-PRO COMPOUNDS FOR TARGETED DEGRADATION OF BET DOMAIN PROTEINS, AND METHODS OF MAKING AND USING THEM BET1, BRD4, BAZ2A ALDH1A1 4266/4885MAPT 3174/4885NPC1 3631/4885
US-20230285570-A1 THERAPEUTICALLY USEFUL CURE-PRO MOLECULES FOR E3 LIGASE MEDIATED DEGRADATION OF PROTEINS, AND METHODS OF MAKING AND USING THEM XIAP, CUL4A, CUL1 ALDH1A1 2592/4885MAPT 3111/4885NPC1 3588/4885
US-20100256104-A1 NOVEL AMIDE COMPOUNDS H1-4, H1-3, H1-5 ALDH1A1 1751/4885MAPT 3420/4885NPC1 2071/4885
US-20230277553-A1 THERAPEUTIC COMPOSITION OF CURE-PRO COMPOUNDS FOR TARGETED DEGRADATION OF BET DOMAIN PROTEINS, AND METHODS OF MAKING AND USAGE BET1, BRD4, PHKB ALDH1A1 4450/4885MAPT 2862/4885NPC1 3741/4885

“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.