SCHEMBL14005133

SCHEMBL14005133

O=C(CBr)NCCOCCOCCNC(=O)CCOCCO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CA2 P00918 5/20 0.38
CA12 O43570 4/20 0.38
CA1 P00915 4/20 0.38
CA4 P22748 4/20 0.38
CA9 Q16790 4/20 0.38
CA14 Q9ULX7 4/20 0.38
TSHR P16473 2/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NAAA Q02083 1/20 0.33
BCL2 P10415 1/20 0.32
LMNA P02545 1/20 0.32
HDAC3 O15379 2/20 0.32
HDAC4 P56524 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC7 Q8WUI4 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC10 Q969S8 2/20 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
SCHEMBL26255469 0.93 MEN1 (0.44) MEN1KMT2ACA2CA12CA1
SCHEMBL14005135 0.93 MEN1 (0.41) MEN1KMT2ACA2CA12CA1
SCHEMBL7547013 0.85 MEN1 (0.47) MEN1KMT2ACA2CA12CA1
SCHEMBL18122064 0.85 MEN1 (0.40) MEN1KMT2ACA2CA12CA1
SCHEMBL14005112 0.83 CA2 (0.36) MEN1KMT2ACA2CA12CA1
SCHEMBL4270081 0.83 TSHR (0.46) MEN1KMT2ACA2CA12CA1
SCHEMBL10261682 0.83 MEN1 (0.41) MEN1KMT2ACA2CA12CA1
SCHEMBL22199409 0.83 MEN1 (0.41) MEN1KMT2ACA2CA12CA1
SCHEMBL17696614 0.83 MEN1 (0.41) MEN1KMT2ACA2CA12CA1
SCHEMBL16644687 0.82 SMN1; SMN2 (0.40) MEN1KMT2ACA2CA12CA1

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-20080293660-A1 CHEMICALLY-DEFINED NON-POLYMERIC VALENCY PLATFORM MOLECULES AND CONJUGATES THEREOF LA JOLLA PHARMACEUTICAL COMPANY (US) 2008-11-27 US disclosed
US-7351855-B2 Chemically defined non-polymeric valency platform molecules and conjugates thereof LA JOLLA PHARMACEUTICAL COMPANY (US) 2008-04-01 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-20080293660-A1 CHEMICALLY-DEFINED NON-POLYMERIC VALENCY PLATFORM MOLECULES AND CONJUGATES THEREOF SSB, PCNA, NCL MEN1 1309/4885KMT2A 680/4885CA2 2390/4885

“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.