SCHEMBL4903454

SCHEMBL4903454

CNC(=O)C[C@H](CSc1ccccc1)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 16/20 0.70
DOT1L Q8TEK3 1/20 0.53
BCL2 P10415 12/20 0.49
MAPT P10636 3/20 0.48
POLB P06746 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
BCL2L2 Q92843 2/20 0.47
ALB P02768 1/20 0.47
GAA P10253 2/20 0.46
PKM P14618 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL4903465 1.00 BCL2L1 (0.70) BCL2L1DOT1LBCL2MAPTPOLB
SCHEMBL5741850 0.91 BCL2L1 (0.68) BCL2L1DOT1LBCL2MAPTPOLB
SCHEMBL2952163 0.90 BCL2L1 (0.72) BCL2L1DOT1LBCL2MAPTPOLB
SCHEMBL1957631 0.90 BCL2L1 (0.72) BCL2L1DOT1LBCL2MAPTPOLB
SCHEMBL2945668 0.90 BCL2L1 (0.72) BCL2L1DOT1LBCL2MAPTPOLB
SCHEMBL1957630 0.90 BCL2L1 (0.72) BCL2L1DOT1LBCL2MAPTPOLB
SCHEMBL1959862 0.88 BCL2L1 (0.75) BCL2L1DOT1LBCL2MAPTPOLB
SCHEMBL1959864 0.88 BCL2L1 (0.75) BCL2L1DOT1LBCL2MAPTPOLB
SCHEMBL2951319 0.87 BCL2L1 (0.74) BCL2L1DOT1LBCL2MAPTPOLB
SCHEMBL4737868 0.85 BCL2L1 (0.78) BCL2L1DOT1LBCL2MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 US 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 358/4885DOT1L 140/4885BCL2 59/4885

“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.