SCHEMBL474895

SCHEMBL474895

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 3/20 0.47
HDAC1 Q13547 3/20 0.47
HDAC6 Q9UBN7 1/20 0.47
CTSK P43235 10/20 0.46
CTSS P25774 6/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CYP2D6 P10635 1/20 0.40
P2RY2 P41231 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL474893 1.00 HDAC4 (0.47) HDAC4HDAC1HDAC6CTSKCTSS
SCHEMBL30788769 1.00 HDAC4 (0.47) HDAC4HDAC1HDAC6CTSKCTSS
SCHEMBL10311801 0.92 HDAC4 (0.46) HDAC4HDAC1HDAC6CTSKCTSS
SCHEMBL28622702 0.92 HDAC4 (0.46) HDAC4HDAC1HDAC6CTSKCTSS
SCHEMBL6446073 0.89 CYP1A2 (0.58) HDAC4HDAC1HDAC6CTSKCTSS
SCHEMBL6446074 0.89 CYP1A2 (0.58) HDAC4HDAC1HDAC6CTSKCTSS
SCHEMBL16001103 0.86 HDAC4 (0.47) HDAC4HDAC1HDAC6CTSKCTSS
SCHEMBL2119739 0.86 CTSK (0.49) HDAC4HDAC1HDAC6CTSKCTSS
SCHEMBL2119738 0.86 CTSK (0.49) HDAC4HDAC1HDAC6CTSKCTSS
SCHEMBL5580323 0.86 CTSK (0.49) HDAC4HDAC1HDAC6CTSKCTSS

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260034094-A1 COMPOSITIONS AND METHODS FOR INDUCING FERROPTOSIS KOJIN THERAPEUTICS INC (US) 2026-02-05 US disclosed
EP-4565228-A2 COMPOSITIONS AND METHODS FOR INDUCING FERROPTOSIS Kojin Therapeutics, Inc. (US) 2025-06-11 EP disclosed
CN-119264224-A Novel fluorine substituted vancomycin analogue and preparation method and application thereof 中国科学院上海有机化学研究所 2025-01-07 CN disclosed
WO-2024030960-A2 COMPOSITIONS AND METHODS FOR INDUCING FERROPTOSIS Kojin Therapeutics, Inc. (US) 2024-02-08 WO disclosed
US-20120093726-A1 Radiolabeled Fluorine Derivatives of Methionine CRC FOR BIOMEDICAL IMAGING DEVELOPMENT LTD. (AU) 2012-04-19 US disclosed
EP-2411360-A1 RADIOLABELED FLUORINE DERIVATIVES OF METHIONINE CRC For Biomedical Imaging Development Ltd (AU) 2012-02-01 EP disclosed
WO-2010108210-A1 RADIOLABELED FLUORINE DERIVATIVES OF METHIONINE CRC FOR BIOMEDICAL IMAGING DEVELOPMENT LTD (AU) 2010-09-30 WO disclosed
US-6620848-B2 Antiarthritic agents, antihistamines, headaches SMITHKLINE BEECHAM CORPORATION 2003-09-16 US disclosed
US-6369272-B1 ENZYME INHIBITORS OF AMIDINE ALKYL SULFIDE AMINOACIDS GLAXOSMITHKLINE 2002-04-09 US disclosed
US-20020010366-A1 Nitric oxide synthase inhibitors SMITHKLINE BEECHAM CORPORATION 2002-01-24 US disclosed
EP-0958277-B1 NITRIC OXIDE SYNTHASE INHIBITORS GLAXO GROUP LTD (GB) 2001-11-21 EP disclosed
EP-0958277-A1 NITRIC OXIDE SYNTHASE INHIBITORS GLAXO GROUP LIMITED (GB) 1999-11-24 EP disclosed
WO-1998030537-A1 NITRIC OXIDE SYNTHASE INHIBITORS GLAXO GROUP LIMITED (GB) 1998-07-16 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 (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-20120093726-A1 Radiolabeled Fluorine Derivatives of Methionine BHMT2, MGMT, AHCY HDAC4 4240/4885HDAC1 3505/4885HDAC6 3794/4885
US-20260034094-A1 COMPOSITIONS AND METHODS FOR INDUCING FERROPTOSIS AIFM2, GPX4, HMOX1 HDAC4 1576/4885HDAC1 1323/4885HDAC6 1640/4885
US-20020010366-A1 Nitric oxide synthase inhibitors NOS1, NOS2, NOS3 HDAC4 3014/4885HDAC1 1268/4885HDAC6 2241/4885

“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.