SCHEMBL10132099

SCHEMBL10132099

O=C(CCC(=O)NC1CC1)NCCCCCNC(=O)CCC(=O)NC1CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
EPHX1 P07099 9/20 0.51
HDAC3 O15379 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
NCOR2 Q9Y618 1/20 0.50
ALDH1A1 P00352 2/20 0.48
CASP2 P42575 1/20 0.47
EPHX2 P34913 2/20 0.46

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
SCHEMBL10132085 0.82 SMN1; SMN2 (0.65) SMN1; SMN2EPHX1HDAC3HDAC1HDAC2
SCHEMBL10132039 0.82 ALDH1A1 (0.52) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10
SCHEMBL25919001 0.79 EPHX1 (0.64) SMN1; SMN2EPHX1HDAC3HDAC1HDAC2
SCHEMBL7543330 0.78 GNAI3 (0.53) EPHX1ALDH1A1CASP2EPHX2
SCHEMBL18893060 0.77 GNAI3 (0.76) EPHX1CASP2EPHX2
SCHEMBL5997943 0.77 HDAC3 (0.67) SMN1; SMN2EPHX1HDAC3HDAC1HDAC2
SCHEMBL21842319 0.75 SMN1; SMN2 (0.68) SMN1; SMN2EPHX1HDAC3HDAC1HDAC2
SCHEMBL13708632 0.75 SMN1; SMN2 (0.69) SMN1; SMN2EPHX1HDAC3HDAC1HDAC2
SCHEMBL4455867 0.75 SMN1; SMN2 (0.69) SMN1; SMN2EPHX1HDAC3HDAC1HDAC2
SCHEMBL23975362 0.74 SMN1; SMN2 (0.66) SMN1; SMN2EPHX1HDAC3HDAC1HDAC2

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-8101186-B2 Peptides that block the binding of IgG to FcRn SYNTONIX PHARMACEUTICALS, INC. (US) 2012-01-24 US disclosed
US-20070254831-A1 PEPTIDES THAT BLOCK THE BINDING OF IgG to FcRn BIOGEN HEMOPHILIA INC. 2007-11-01 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-20070254831-A1 PEPTIDES THAT BLOCK THE BINDING OF IgG to FcRn FCGRT, FCGR3B, FCGR1A SMN1; SMN2 4722/4885EPHX1 3281/4885HDAC3 4265/4885

“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.