SCHEMBL4042455

SCHEMBL4042455

CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)O)C1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.61
HSD11B1 P28845 9/20 0.61
CYP2C9 P11712 1/20 0.61
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
BTK Q06187 1/20 0.50
EPHX1 P07099 1/20 0.48
PARP1 P09874 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
USP30 Q70CQ3 1/20 0.46
NAMPT P43490 1/20 0.44

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
SCHEMBL4044287 1.00 CTSK (0.61) CTSKHSD11B1CYP2C9CA1CA2
SCHEMBL2049277 1.00 CTSK (0.61) CTSKHSD11B1CYP2C9CA1CA2
SCHEMBL1467769 0.91 CA1 (0.71) CTSKHSD11B1CYP2C9CA1CA2
SCHEMBL3487489 0.91 CA1 (0.71) CTSKHSD11B1CYP2C9CA1CA2
SCHEMBL3487968 0.91 CA1 (0.71) CTSKHSD11B1CYP2C9CA1CA2
SCHEMBL6187601 0.90 CTSK (0.56) CTSKHSD11B1CYP2C9CA1CA2
SCHEMBL30175163 0.90 CA1 (0.66) CTSKHSD11B1CYP2C9CA1CA2
SCHEMBL5556389 0.90 CA1 (0.66) CTSKHSD11B1CYP2C9CA1CA2
SCHEMBL19024479 0.89 HSD11B1 (0.54) CTSKHSD11B1CYP2C9CA1CA2
SCHEMBL1649898 0.88 CTSK (0.61) CTSKHSD11B1CYP2C9CA1CA2

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
EP-3191473-A1 INDAZOLYL- AND INDOLYL-BENZAMIDE DERIVATIVES Esanex, Inc. (US) 2017-07-19 EP claimed
WO-2016040809-A1 INDAZOLYL- AND INDOLYL-BENZAMIDE DERIVATIVES ESANEX, INC. (US) 2016-03-17 WO claimed
EP-2685990-A1 COMBINATION OF ANTI-CLUSTERIN OLIGONUCLEOTIDE WITH HSP90 INHIBITOR FOR THE TREATMENT OF PROSTATE CANCER The University Of British Columbia (CA) 2014-01-22 EP claimed
WO-2012123823-A1 COMBINATION OF ANTI-CLUSTERIN OLIGONUCLEOTIDE WITH HSP90 INHIBITOR FOR THE TREATMENT OF PROSTATE CANCER THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2012-09-20 WO claimed
WO-2008156831-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2008-12-24 WO claimed
US-20230219973-A1 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF MOLECURE S.A. (PL) 2023-07-13 US disclosed
WO-2023119233-A1 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF MOLECURE S.A. (PL) 2023-06-29 WO disclosed
EP-3313453-A1 METHOD FOR IMAGING ARTHRITIS Guy's And St Thomas' Nhs Foundation Trust (GB) 2018-05-02 EP disclosed
EP-3191473-A1 INDAZOLYL- AND INDOLYL-BENZAMIDE DERIVATIVES Esanex, Inc. (US) 2017-07-19 EP disclosed
WO-2016207636-A1 METHOD FOR IMAGING ARTHRITIS GUY'S AND ST THOMAS' HOSPITAL NHS FOUNDATION TRUST (GB) 2016-12-29 WO disclosed
WO-2016040809-A1 INDAZOLYL- AND INDOLYL-BENZAMIDE DERIVATIVES ESANEX, INC. (US) 2016-03-17 WO disclosed
EP-2911771-A1 DROPLET INTERFACES Oxford Nanopore Technologies Limited (GB) 2015-09-02 EP disclosed
US-7049323-B2 Amidoheterocycles as modulators of the melanocortin-4 receptor BRISTOL-MYERS SQUIBB COMPANY (US) 2006-05-23 US disclosed
WO-2005049617-A1 PYRAZOLOPYRIMIDINES PFIZER LIMITED (GB) 2005-06-02 WO disclosed
US-20050043325-A1 Novel pharmaceuticals PFIZER INC 2005-02-24 US disclosed
US-20040224901-A1 Amidoheterocycles as modulators of the melanocortin-4 receptor BRISTOL-MYERS SQUIBB COMPANY 2004-11-11 US disclosed
EP-0394685-A2 (S)-7-(3-Amino-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acid WARNER-LAMBERT COMPANY (US) 1990-10-31 EP disclosed
US-4916141-A ANTIBACTERIAL WARNER-LAMBERT COMPANY (US) 1990-04-10 US disclosed
US-4851418-A Naphthyridine antibacterial agents containing an α-amino acid in the side chain of the 7-substituent WARNER-LAMBERT COMPANY (US) 1989-07-25 US disclosed
EP-0304087-A2 Quinolone and naphthyridine antibacterial agents containing an alpha-amino acid in the side chain of the 7-substituent WARNER-LAMBERT COMPANY (US) 1989-02-22 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 (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-20050043325-A1 Novel pharmaceuticals ABCB11, PCSK9, SLC10A1 CTSK 146/4885HSD11B1 491/4885CYP2C9 76/4885
US-20230219973-A1 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF USP7, USP28, USP1 CTSK 368/4885HSD11B1 2415/4885CYP2C9 3896/4885
US-20040224901-A1 Amidoheterocycles as modulators of the melanocortin-4 receptor MC4R, MC1R, MC3R CTSK 3614/4885HSD11B1 1779/4885CYP2C9 2466/4885

“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.