SCHEMBL1028060

SCHEMBL1028060

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

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
HDAC6 Q9UBN7 2/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
CA14 Q9ULX7 4/20 0.34
CA12 O43570 3/20 0.34
CA1 P00915 3/20 0.33
CA7 P43166 2/20 0.33
CA2 P00918 2/20 0.33
DGAT1 O75907 1/20 0.33
USP30 Q70CQ3 1/20 0.33
CYP2D6 P10635 1/20 0.30

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
SCHEMBL12538944 0.82 CA1 (0.35) POLBHDAC6HDAC1HDAC2CA14
SCHEMBL12616124 0.79 HDAC6 (0.35) POLBHDAC6HDAC1HDAC2CA14
SCHEMBL9178624 0.79 HDAC6 (0.32) POLBHDAC6HDAC1HDAC2CA1
SCHEMBL12261426 0.78 HDAC6 (0.36) POLBHDAC6HDAC1HDAC2CA14
SCHEMBL16440494 0.78 HDAC6 (0.36) POLBHDAC6HDAC1HDAC2CA14
SCHEMBL9177642 0.77 HDAC6 (0.33) POLBHDAC6HDAC1HDAC2
SCHEMBL27487008 0.77 CA1 (0.36) POLBHDAC6HDAC1HDAC2CA14
SCHEMBL9173643 0.77 HDAC6 (0.33) POLBHDAC6HDAC1HDAC2
SCHEMBL503445 0.76 HDAC6 (0.35) POLBHDAC6HDAC1HDAC2CA14
SCHEMBL5345861 0.76 AAK1 (0.35) POLBHDAC6HDAC1HDAC2CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS Asteroid Therapeutics 2023-10-26 US disclosed
US-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS Asteroid Therapeutics 2023-10-26 US disclosed
EP-4110298-A1 HOT MELT EXTRUDED SOLID DISPERSIONS CONTAINING A BCL2 INHIBITOR Guangzhou Lupeng Pharmaceutical Company Ltd. (CN) 2023-01-04 EP disclosed
EP-3672976-A1 BCL-2 INHIBITORS Newave Pharmaceutical Inc. (US) 2020-07-01 EP disclosed
WO-2019040573-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. (US) 2019-02-28 WO disclosed
US-20180319798-A1 1,3,4,8-Tetrahydro-2H-Pyrido[1,2-a]Pyrazine Derivative and Use of the Same as HIV Integrase Inhibitor JAPAN TOBACCO INC. (JP) 2018-11-08 US disclosed
US-10065950-B2 Substituted thiazoles as HIV integrase inhibitors JAPAN TOBACCO INC. (JP) 2018-09-04 US disclosed
WO-2017182495-A1 INDAZOLE DERIVATIVES THAT DOWN-REGULATE THE ESTROGEN RECEPTOR AND POSSESS ANTI-CANCER ACTIVITY ASTRAZENECA AB (SE) 2017-10-26 WO disclosed
EP-3215496-A2 PANTOTHENAMIDE ANALOGUES Radboud Universitair Medisch Centrum (NL) 2017-09-13 EP disclosed
EP-3193611-A2 MK2 INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2017-07-26 EP disclosed
WO-2011119759-A1 COMPOUNDS (CYSTEIN BASED LIPOPEPTIDES) AND COMPOSITIONS AS TLR2 AGONISTS USED FOR TREATING INFECTIONS, INFLAMMATIONS, RESPIRATORY DISEASES ETC. IRM LLC (BM) 2011-09-29 WO disclosed
WO-2011051540-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORPORATION (FI) 2011-05-05 WO disclosed
EP-2307385-A1 2 -ARYLAMINOQUINAZOLINES FOR TREATING PROLIFERATIVE DISEASES Novartis AG (CH) 2011-04-13 EP disclosed
EP-2274306-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2011-01-19 EP disclosed
WO-2010092371-A1 TRIAZOLO [4,3-B] PYRIDAZINE DERIVATIVES AND THEIR USES FOR PROSTATE CANCER ASTRAZENECA AB (SE) 2010-08-19 WO disclosed
WO-2009153313-A1 2 -ARYLAMINOQUINAZOLINES FOR TREATING PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2009-12-23 WO disclosed
WO-2009114566-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-09-17 WO disclosed
EP-2018371-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2009-01-28 EP disclosed
WO-2007136703-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2007-11-29 WO disclosed
US-5589476-A TREATMENT OF NAUSEA, VOMITING AND GASTROINTESTINAL DISORDERS SYNTHELABO (FR) 1996-12-31 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-20180319798-A1 1,3,4,8-Tetrahydro-2H-Pyrido[1,2-a]Pyrazine Derivative and Use of the Same as HIV Integrase Inhibitor IMPA1, IMPDH1, TYMP POLB 107/4885HDAC6 2601/4885HDAC1 271/4885
US-10065950-B2 Substituted thiazoles as HIV integrase inhibitors TYMP, TYMS, IMPDH1 POLB 129/4885HDAC6 1319/4885HDAC1 247/4885
US-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS SREBF1, SREBF2, NR1H3 POLB 4003/4885HDAC6 3664/4885HDAC1 849/4885

“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.