SCHEMBL2633147

SCHEMBL2633147

CCCC(=O)NCCNC(=O)CCC

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.70
HDAC3 O15379 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
CTSD P07339 1/20 0.55
ALDH1A1 P00352 2/20 0.52
NAAA Q02083 1/20 0.52
HPGD P15428 1/20 0.52
FAAH O00519 4/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
DNM1 Q05193 2/20 0.47

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
SCHEMBL12673157 0.92 CASP2 (0.61) CASP2HDAC3HDAC1HDAC2HDAC8
SCHEMBL840681 0.92
SCHEMBL16072836 0.90 CASP2 (0.59) CASP2HDAC3HDAC1HDAC2HDAC8
SCHEMBL12583601 0.90 CASP2 (0.59) CASP2HDAC3HDAC1HDAC2HDAC8
SCHEMBL14576993 0.89 CASP2 (0.78) CASP2HDAC3HDAC1HDAC2HDAC8
SCHEMBL7537764 0.89 CASP2 (0.86) CASP2HDAC3HDAC1HDAC2HDAC8
SCHEMBL9921430 0.88 CASP2 (0.57) CASP2HDAC3HDAC1HDAC2HDAC8
SCHEMBL9921440 0.88 CASP2 (0.57) CASP2HDAC3HDAC1HDAC2HDAC8
SCHEMBL9921437 0.88 CASP2 (0.57) CASP2HDAC3HDAC1HDAC2HDAC8
SCHEMBL27266338 0.88 CASP2 (0.57) CASP2HDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10039809-B2 Modified therapeutic agents, stapled peptide lipid conjugates, and compositions thereof THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2018-08-07 US disclosed
US-10010589-B2 2018-07-03 US disclosed
US-9145514-B2 Temperature management indicator and structure having the same attached NICHIYU GIKEN KOGYO CO., LTD. (JP) 2015-09-29 US disclosed
EP-2554961-A1 TEMPERATURE MANAGEMENT INDICATOR AND STRUCTURE HAVING THE SAME ATTACHED Nichiyu Giken Kogyo Co. Ltd. (JP) 2013-02-06 EP disclosed
US-20130014690-A1 TEMPERATURE MANAGEMENT INDICATOR AND STRUCTURE HAVING THE SAME ATTACHED NICHIYU GIKEN KOGYO CO., LTD. (JP) 2013-01-17 US disclosed
US-20120100555-A1 Synthesis And Use Of Fluorophore-Tagged Antimalarials NATIONAL UNIVERSITY OF SINGAPORE (SG) 2012-04-26 US disclosed
US-7179872-B2 Chain transfer agents for RAFT polymerization in aqueous media UNIVERSITY OF SOUTHERN MISSISSIPPI (US) 2007-02-20 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-10010589-B2 TYMP, MTAP, TUBB6 CASP2 537/4885HDAC3 2701/4885HDAC1 1700/4885
US-10039809-B2 Modified therapeutic agents, stapled peptide lipid conjugates, and compositions thereof SGMS1, SGMS2, PHOSPHO1 CASP2 472/4885HDAC3 2423/4885HDAC1 1443/4885
US-20120100555-A1 Synthesis And Use Of Fluorophore-Tagged Antimalarials ABCC1, DHFR, GFPT1 CASP2 969/4885HDAC3 1663/4885HDAC1 2091/4885

“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.