SCHEMBL568692

SCHEMBL568692

O=C(ON1C(=O)CCC1=O)c1cc(I)cc(I)c1I

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ HDAC9 Q9UKV0 1/20 0.33
▸ HDAC5 Q9UQL6 1/20 0.33

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
SCHEMBL22076666 0.77 MGLL (0.33) —
SCHEMBL1655594 0.76 MGLL (0.33) —
SCHEMBL21711270 0.74 KMT2A (0.33) —
SCHEMBL21711250 0.74 KMT2A (0.33) —
SCHEMBL16871706 0.74 PTPN2 (0.46) —
SCHEMBL21711252 0.74 KMT2A (0.37) —
SCHEMBL21711112 0.73 — —
SCHEMBL21711249 0.72 MGLL (0.35) —
Ethylene Glycol SCHEMBL29119578 0.71 HDAC3 (0.33) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21711120 0.71 MGLL (0.33) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11344634-B2 Activity based probe and uses thereof for imaging YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2022-05-31 — — US disclosed
US-11344634-B2 Activity based probe and uses thereof for imaging YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2022-05-31 — — US disclosed
EP-3416692-B1 ACTIVITY BASED PROBE AND USES THEREOF FOR IMAGING YISSUM RES DEV CO OF HEBREW UNIV JERUSALEM LTD (IL) 2020-12-16 — — EP disclosed
US-20190054193-A1 ACTIVITY BASED PROBE AND USES THEREOF FOR IMAGING YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2019-02-21 — — US disclosed
US-20190054193-A1 ACTIVITY BASED PROBE AND USES THEREOF FOR IMAGING YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2019-02-21 — — US disclosed
EP-3416692-A1 ACTIVITY BASED PROBE AND USES THEREOF FOR IMAGING Yissum Research Development Company of the Hebrew University of Jerusalem Ltd. (IL) 2018-12-26 — — EP disclosed
WO-2017141251-A1 ACTIVITY BASED PROBE AND USES THEREOF FOR IMAGING YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD (IL) 2017-08-24 — — WO disclosed
WO-2013121284-A1 IODINATED PRODUCTS INTENDED FOR A USE FOR THE MEDICAL IMAGING AND THEIR METHODS OF PREPARATION UNIVERSITE DE STRASBOURG (FR) 2013-08-22 — — WO disclosed
WO-2012018290-A1 DISCRETE COATED NANOPARTICLES KEMPE MARIA (SE) 2012-02-09 — — 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 (2 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-11344634-B2 Activity based probe and uses thereof for imaging GUSB, CPB1, MPI HDAC3 1030/4885HDAC4 2023/4885HDAC1 1093/4885
US-20190054193-A1 ACTIVITY BASED PROBE AND USES THEREOF FOR IMAGING GUSB, CPB1, MPI HDAC3 1030/4885HDAC4 2023/4885HDAC1 1093/4885

“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.

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