SCHEMBL2610784

SCHEMBL2610784

CSSC(C)(C)CCC(=O)NCCCOc1cc(COS(C)(=O)=O)nc(COS(C)(=O)=O)c1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 15/20 0.36
CNR2 P34972 14/20 0.36
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
RECQL P46063 1/20 0.32

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
SCHEMBL2610790 0.97 CNR1 (0.38) CNR1CNR2
SCHEMBL13931424 0.97 CNR1 (0.35) CNR1CNR2SMN1; SMN2
SCHEMBL2610810 0.92 NCF1 (0.34) CNR1CNR2
SCHEMBL2610798 0.92 NCF1 (0.34) CNR1CNR2
SCHEMBL2610724 0.88 CNR1 (0.38) CNR1CNR2MEN1HPGDKMT2A
SCHEMBL1742965 0.86 CNR1 (0.43) CNR1CNR2MEN1HPGDKMT2A
SCHEMBL2610780 0.85 CNR1 (0.36) CNR1CNR2KMT2ASMN1; SMN2
SCHEMBL1742135 0.83 CNR1 (0.45) CNR1CNR2MEN1HPGDKMT2A
SCHEMBL1742923 0.83 CNR1 (0.41) CNR1CNR2MEN1HPGDKMT2A
SCHEMBL16299276 0.80 CA12 (0.34) CNR1CNR2

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-8163736-B2 Cytotoxic agents comprising new tomaymycin derivatives SANOFI-AVENTIS (FR) 2012-04-24 US disclosed
US-8163736-B2 Cytotoxic agents comprising new tomaymycin derivatives SANOFI-AVENTIS (FR) 2012-04-24 US disclosed
US-20090036431-A1 Cytotoxic Agents Comprising New Tomaymycin Derivatives SANOFI-AVENTIS (FR) 2009-02-05 US disclosed
US-20090036431-A1 Cytotoxic Agents Comprising New Tomaymycin Derivatives SANOFI-AVENTIS (FR) 2009-02-05 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 (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-20090036431-A1 Cytotoxic Agents Comprising New Tomaymycin Derivatives TOMM70, TOMM34, TOMM40 CNR1 4654/4885CNR2 4833/4885MEN1 2584/4885

“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.