SCHEMBL9977958

SCHEMBL9977958

CC(C)(N)CC(C)(C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
TSHR P16473 2/20 0.38
GGT1 P19440 1/20 0.38
ACLY P53396 1/20 0.37
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
ARG1 P05089 1/20 0.34
ARG2 P78540 1/20 0.34
BLM P54132 2/20 0.33
MEN1 O00255 2/20 0.33
CYP1A2 P05177 2/20 0.33
KMT2A Q03164 2/20 0.33
THRB P10828 1/20 0.33
GRM2 Q14416 1/20 0.32
KDM4E B2RXH2 2/20 0.32
GRM4 Q14833 1/20 0.32
ADRA1A P35348 2/20 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
SCHEMBL797973 0.82 TSHR (0.47) ALDH1A1TSHRGGT1ACLYCYP2D6
SCHEMBL13262289 0.78 ALDH1A1 (0.33) ALDH1A1BLMGRM4GAAMAPT
SCHEMBL8273528 0.78 GRM4 (0.32) ALDH1A1CYP2C19BLMCYP1A2KMT2A
SCHEMBL24130510 0.77 TSHR (0.39) ALDH1A1TSHRGGT1ACLYCYP2D6
SCHEMBL13442790 0.77 MEN1 (0.39) ALDH1A1TSHRGGT1ACLYCYP2D6
SCHEMBL85014 0.77 TSHR (0.42) ALDH1A1TSHRGGT1ACLYCYP2D6
SCHEMBL22013342 0.76 GRM4 (0.31) GRM4
SCHEMBL14341015 0.76 TSHR (0.36) ALDH1A1TSHRACLYCYP2D6CYP2C19
SCHEMBL14458885 0.76 GRM4 (0.31) GRM4
SCHEMBL12066145 0.76 TSHR (0.36) ALDH1A1TSHRGGT1ACLYCYP2D6

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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043755-B2 Compositions, methods, and articles relating to in-situ crosslinking of polyamides during additive manufacturing XEROX CORPORATION (US) 2024-07-23 US disclosed
EP-3645505-B1 PROCESS FOR THE SEPARATION OF LONG CHAIN AMINO ACIDS AND DIBASIC ACIDS VITAWORKS IP LLC (US) 2024-05-29 EP disclosed
EP-3645502-B1 PROCESS FOR THE SEPARATION OF LONG CHAIN AMINO ACIDS AND DIBASIC ACIDS VITAWORKS IP LLC (US) 2023-08-23 EP disclosed
WO-2023111350-A2 CARBONIC ANHYDRASE IX LIGANDS 3B PHARMACEUTICALS GMBH (DE) 2023-06-22 WO disclosed
US-11668704-B2 Degradation preventing means for immunoassay reagent containing insoluble carrier particles FUJIKURA KASEI CO., LTD. (JP) 2023-06-06 US disclosed
EP-4170347-A1 GASTRIC INHIBITORY PEPTIDE RECEPTOR LIGANDS 3B Pharmaceuticals GmbH (DE) 2023-04-26 EP disclosed
EP-3652149-B1 PROCESS FOR PRODUCING LONG CHAIN ACIDS AND DIBASIC ACIDS VITAWORKS IP LLC (US) 2022-12-28 EP disclosed
US-20220162474-A1 COMPOSITIONS, METHODS, AND ARTICLES RELATING TO IN-SITU CROSSLINKING OF POLYAMIDES DURING ADDITIVE MANUFACTURING XEROX CORPORATION (US) 2022-05-26 US disclosed
US-11177440-B2 Method for inkjet printing an organic-inorganic perovskite AALTO UNIVERSITY FOUNDATION (FI) 2021-11-16 US disclosed
US-20210123907-A1 DEGRADATION PREVENTING MEANS FOR IMMUNOASSAY REAGENT CONTAINING INSOLUBLE CARRIER PARTICLES FUJIKURA KASEI CO., LTD. (JP) 2021-04-29 US disclosed
US-20100330086-A1 CATIONIC STEROID ANTIMICROBIAL COMPOSITIONS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-12-30 US disclosed
US-20100098633-A1 SELECTIVE SEPRASE INHIBITORS MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2010-04-22 US disclosed
WO-2009021944-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 WO disclosed
WO-2009021758-A1 ARYLSULFONAMIDES HAVING AN ANALGESIC EFFECT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 WO disclosed
WO-2009021946-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 WO disclosed
EP-2025673-A1 Arylsulfonamides with analgetic activity Boehringer Ingelheim International GmbH (DE) 2009-02-18 EP disclosed
EP-2025675-A1 Arylsulfonamides with analgetic activity Boehringer Ingelheim International GmbH (DE) 2009-02-18 EP disclosed
EP-2025668-A1 Arylsulfonamides with analgetic activity Boehringer Ingelheim International GmbH (DE) 2009-02-18 EP disclosed
WO-2008022945-A1 ARYL SULFONAMIDES WITH AN ANALGESIC ACTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-28 WO disclosed
US-20070191322-A1 Cationic Steroid Microbial Compositions and Methods of Use NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-08-16 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 (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-20100330086-A1 CATIONIC STEROID ANTIMICROBIAL COMPOSITIONS AND METHODS OF USE CCL5, PRF1, NR3C1 ALDH1A1 4393/4885TSHR 3961/4885GGT1 1919/4885
US-11668704-B2 Degradation preventing means for immunoassay reagent containing insoluble carrier particles LTC4S, ALOX5, ALOX15 ALDH1A1 188/4885TSHR 4524/4885GGT1 372/4885
US-20070191322-A1 Cationic Steroid Microbial Compositions and Methods of Use CCL5, NR3C1, NR3C2 ALDH1A1 4197/4885TSHR 2236/4885GGT1 2470/4885
US-20100098633-A1 SELECTIVE SEPRASE INHIBITORS SLC6A7, DNPEP, PREP ALDH1A1 2968/4885TSHR 2864/4885GGT1 48/4885

“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.