SCHEMBL4883068

SCHEMBL4883068

CC(=O)SCC(=O)c1ccc(OCCCN(C)Cc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
ACHE P22303 8/20 0.56
BCHE P06276 7/20 0.56
CNR1 P21554 2/20 0.50
CNR2 P34972 2/20 0.50
LTA4H P09960 2/20 0.50
TSHR P16473 1/20 0.50

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
SCHEMBL4876506 0.94 TSHR (0.57) MEN1KMT2AACHEBCHECNR1
SCHEMBL14087167 0.87 HDAC3 (0.53) MEN1KMT2AACHEBCHE
SCHEMBL4883723 0.84 HDAC3 (0.50) ACHEBCHELTA4H
SCHEMBL14498741 0.83 HDAC3 (0.78)
SCHEMBL14498747 0.81 HDAC3 (0.78)
SCHEMBL4884072 0.78 TSHR (0.68) MEN1KMT2AACHEBCHECNR1
SCHEMBL14498752 0.78 HDAC3 (0.78)
SCHEMBL4877516 0.77 TSHR (0.63) MEN1KMT2AACHEBCHECNR1
SCHEMBL14569771 0.76 TSHR (0.69) MEN1KMT2AACHEBCHECNR1
SCHEMBL7234281 0.76 TSHR (0.64) MEN1KMT2AACHEBCHELTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194681-A1 Novel Inhibitors of Histone Deacetylase for the Treatment of Disease KALYPSYS, INC. (US) 2008-08-14 US disclosed
US-20080194681-A1 Novel Inhibitors of Histone Deacetylase for the Treatment of Disease KALYPSYS, INC. (US) 2008-08-14 US disclosed
US-20080194681-A1 Novel Inhibitors of Histone Deacetylase for the Treatment of Disease KALYPSYS, INC. (US) 2008-08-14 US disclosed
EP-1819669-A2 NOVEL INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE Kalypsys, Inc. (US) 2007-08-22 EP disclosed
WO-2006063294-A2 NOVEL INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2006-06-15 WO disclosed
WO-2006063294-A2 NOVEL INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2006-06-15 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 (1 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-20080194681-A1 Novel Inhibitors of Histone Deacetylase for the Treatment of Disease HDAC1, HDAC10, HDAC6 MEN1 2700/4885KMT2A 206/4885ACHE 3224/4885

“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.