SCHEMBL622720

SCHEMBL622720

C=C[C@H](O)CC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.54
HDAC3 O15379 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
CYP2D6 P10635 2/20 0.44
CTSK P43235 2/20 0.33
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
BLM P54132 1/20 0.31
SLC6A3 Q01959 1/20 0.31
MEN1 O00255 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 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
SCHEMBL622751 1.00 HDAC6 (0.54) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL622318 1.00 HDAC6 (0.54) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL30262738 0.85 HDAC3 (0.45) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL19871362 0.80 CYP2D6 (0.44) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL9953255 0.80 CYP2D6 (0.44) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL16842413 0.78 HDAC3 (0.33) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL24445633 0.77 HDAC3 (0.41) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL14524872 0.77 HDAC3 (0.44) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL28507298 0.77 HDAC3 (0.44) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL16447084 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119306599-A Preparation method of R-3-hydroxypent-4-enoate tert-butyl ester 佛山奕安赛医药科技有限公司 2025-01-14 CN claimed
US-20250064838-A1 THERAPEUTIC USES OF PHARMACEUTICAL COMPOSITIONS COMPRISING CYCLIC BORONIC ACID ESTER DERIVATIVES MELINTA SUBSIDIARY CORP. 2025-02-27 US disclosed
CN-119306599-A Preparation method of R-3-hydroxypent-4-enoate tert-butyl ester 佛山奕安赛医药科技有限公司 2025-01-14 CN disclosed
US-12171772-B2 Therapeutic uses of pharmaceutical compositions comprising cyclic boronic acid ester derivatives MELINTA SUBSIDIARY CORP. (US) 2024-12-24 US disclosed
EP-4356736-A2 SYNTHESIS OF BORONATE SALTS Melinta Therapeutics, Inc. (US) 2024-04-24 EP disclosed
EP-3604316-B1 SYNTHESIS OF BORONATE SALTS MELINTA THERAPEUTICS INC (US) 2023-12-06 EP disclosed
US-20230277571-A1 THERAPEUTIC USES OF PHARMACEUTICAL COMPOSITIONS COMPRISING CYCLIC BORONIC ACID ESTER DERIVATIVES MELINTA SUBSIDIARY CORP. 2023-09-07 US disclosed
US-20230277571-A1 THERAPEUTIC USES OF PHARMACEUTICAL COMPOSITIONS COMPRISING CYCLIC BORONIC ACID ESTER DERIVATIVES MELINTA SUBSIDIARY CORP. 2023-09-07 US disclosed
US-11684629-B2 Therapeutic uses of pharmaceutical compositions comprising cyclic boronic acid ester derivatives MELINTA SUBSIDIARY CORP. (US) 2023-06-27 US disclosed
US-11684629-B2 Therapeutic uses of pharmaceutical compositions comprising cyclic boronic acid ester derivatives MELINTA SUBSIDIARY CORP. (US) 2023-06-27 US disclosed
WO-2013122888-A2 METHODS OF TREATING BACTERIAL INFECTIONS REMPEX PHARMACEUTICALS, INC. (US) 2013-08-22 WO disclosed
EP-2603514-A1 CYCLIC BORONIC ACID ESTER DERIVATIVES AND THERAPEUTIC USES THEREOF Rempex Pharmaceuticals, Inc. (US) 2013-06-19 EP disclosed
US-20120040932-A1 CYCLIC BORONIC ACID ESTER DERIVATIVES AND THERAPEUTIC USES THEREOF REMPEX PHARMACEUTICALS, INC. (US) 2012-02-16 US disclosed
US-20120040932-A1 CYCLIC BORONIC ACID ESTER DERIVATIVES AND THERAPEUTIC USES THEREOF REMPEX PHARMACEUTICALS, INC. (US) 2012-02-16 US disclosed
WO-2012021455-A1 CYCLIC BORONIC ACID ESTER DERIVATIVES AND THERAPEUTIC USES THEREOF REMPEX PHARMACEUTICALS, INC. (US) 2012-02-16 WO disclosed
US-20110217335-A1 SYNTHESIS OF RESORCYLIC ACID LACTONES USEFUL AS THERAPEUTIC AGENTS UNIVERSITE DE STRASBOURG (FR) 2011-09-08 US disclosed
US-20110217335-A1 SYNTHESIS OF RESORCYLIC ACID LACTONES USEFUL AS THERAPEUTIC AGENTS UNIVERSITE DE STRASBOURG (FR) 2011-09-08 US disclosed
US-20100292218-A1 Treatment Of Neurofibromatosis With Radicicol And Its Derivatives NEXGENIX PHARMACEUTICALS HOLDINGS, INC. 2010-11-18 US disclosed
US-20100292218-A1 Treatment Of Neurofibromatosis With Radicicol And Its Derivatives NEXGENIX PHARMACEUTICALS HOLDINGS, INC. 2010-11-18 US disclosed
WO-2009091921-A1 SYNTHESIS OF RESORCYLIC ACID LACTONES USEFUL AS THERAPEUTIC AGENTS UNIVERSITE DE STRASBOURG (FR) 2009-07-23 WO 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 (7 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-20120040932-A1 CYCLIC BORONIC ACID ESTER DERIVATIVES AND THERAPEUTIC USES THEREOF BCL6B, BCL6, BCL9 HDAC6 849/4885HDAC3 2302/4885HDAC1 2058/4885
US-20100292218-A1 Treatment Of Neurofibromatosis With Radicicol And Its Derivatives HSP90AB2P, HSP90AA1, HSPA2 HDAC6 1232/4885HDAC3 3466/4885HDAC1 3038/4885
US-20110217335-A1 SYNTHESIS OF RESORCYLIC ACID LACTONES USEFUL AS THERAPEUTIC AGENTS HSP90AA1, HSP90AB1, HSP90AB2P HDAC6 101/4885HDAC3 605/4885HDAC1 914/4885
US-20250064838-A1 THERAPEUTIC USES OF PHARMACEUTICAL COMPOSITIONS COMPRISING CYCLIC BORONIC ACID ESTER DERIVATIVES BCL6B, BCL6, SLC10A2 HDAC6 735/4885HDAC3 2083/4885HDAC1 2966/4885
US-12171772-B2 Therapeutic uses of pharmaceutical compositions comprising cyclic boronic acid ester derivatives BCL6B, BCL6, SLC10A2 HDAC6 735/4885HDAC3 2083/4885HDAC1 2966/4885
US-11684629-B2 Therapeutic uses of pharmaceutical compositions comprising cyclic boronic acid ester derivatives BCL6B, BCL6, SLC10A2 HDAC6 735/4885HDAC3 2083/4885HDAC1 2966/4885
US-20230277571-A1 THERAPEUTIC USES OF PHARMACEUTICAL COMPOSITIONS COMPRISING CYCLIC BORONIC ACID ESTER DERIVATIVES BCL6B, BCL6, SLC10A2 HDAC6 735/4885HDAC3 2083/4885HDAC1 2966/4885

“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.