SCHEMBL6804037

SCHEMBL6804037

O=C(O)CNC(=O)CNCCS

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 1/20 0.38
ITGA5 P08648 1/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
PTGS2 P35354 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA1 P00915 6/20 0.37
CA2 P00918 6/20 0.37
MME P08473 2/20 0.36
EGLN1 Q9GZT9 1/20 0.34
HDAC3 O15379 2/20 0.34
HDAC4 P56524 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC7 Q8WUI4 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC10 Q969S8 2/20 0.34
HDAC11 Q96DB2 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34

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
SCHEMBL13336065 0.86 CA1 (0.45) ITGB1ITGA5ALDH1A1LMNAMAPT
SCHEMBL3046011 0.84 HDAC3 (0.41) ALDH1A1CA1CA2HDAC3HDAC4
SCHEMBL289203 0.84
SCHEMBL9192136 0.78 MCL1 (0.39) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL9190823 0.78 ALDH1A1 (0.37) ALDH1A1LMNAMAPTTDP1HDAC3
SCHEMBL1330451 0.78 FAAH (0.42) ITGB1ITGA5ALDH1A1LMNAMAPT
SCHEMBL9188556 0.77 MCL1 (0.44) ALDH1A1LMNAHDAC3HDAC4HDAC1
SCHEMBL22887712 0.76 FAAH (0.42) ITGB1ITGA5ALDH1A1LMNAMAPT
SCHEMBL468980 0.76 FAAH (0.42) ITGB1ITGA5ALDH1A1LMNAMAPT
SCHEMBL20095068 0.75 GAA (0.53) ALDH1A1LMNAMAPTTDP1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040102364-A1 Backbone cyclized radiolabelled somatostatin analogs DEVELOGEN ISRAEL LTD. (IL) 2004-05-27 US disclosed
WO-2002062819-A2 BACKBONE CYCLIZED RADIOLABELLED SOMATOSTATIN ANALOGS PEPTOR LTD. (IL) 2002-08-15 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-20040102364-A1 Backbone cyclized radiolabelled somatostatin analogs SSTR3, SSTR4, SSTR1 ITGB1 4627/4885ITGA5 4781/4885ALDH1A1 4684/4885

“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.