SCHEMBL3963890

SCHEMBL3963890

CN(CCC(CSc1ccccc1)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])CC(=O)O

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 19/20 0.80
BCL2 P10415 13/20 0.54
BCL2L2 Q92843 2/20 0.54
ALB P02768 1/20 0.54
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49

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
SCHEMBL3958562 0.93 BCL2L1 (0.80) BCL2L1BCL2BCL2L2ALBHDAC3
SCHEMBL3958559 0.93 BCL2L1 (0.80) BCL2L1BCL2BCL2L2ALBHDAC3
SCHEMBL14067153 0.93 BCL2L1 (0.77) BCL2L1BCL2BCL2L2ALB
SCHEMBL3956795 0.91 BCL2L1 (0.77) BCL2L1BCL2BCL2L2ALBHDAC3
SCHEMBL3956786 0.91 BCL2L1 (0.77) BCL2L1BCL2BCL2L2ALBHDAC3
SCHEMBL30404935 0.90 BCL2L1 (0.82) BCL2L1BCL2BCL2L2ALB
SCHEMBL3954461 0.90 BCL2L1 (0.75) BCL2L1BCL2BCL2L2ALBHDAC3
SCHEMBL3954456 0.90 BCL2L1 (0.75) BCL2L1BCL2BCL2L2ALBHDAC3
SCHEMBL3958517 0.89 BCL2L1 (0.74) BCL2L1BCL2BCL2L2ALBHDAC3
SCHEMBL3958538 0.89 BCL2L1 (0.74) BCL2L1BCL2BCL2L2ALBHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2061772-A2 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS Curis, Inc. (US) 2009-05-27 EP disclosed
WO-2009036051-A1 BCL-2 INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2009-03-19 WO disclosed
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 US disclosed
WO-2008033747-A9 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS INC (MA) 2008-07-24 WO disclosed
WO-2008033747-A2 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS, INC. (US) 2008-03-20 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-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents HDAC1, HDAC6, HDAC5 BCL2L1 358/4885BCL2 59/4885BCL2L2 468/4885

“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.