SCHEMBL13073508

SCHEMBL13073508

CCOCCOCCNC(=O)CCS

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
EPHX2 P34913 3/20 0.40
PCNA P12004 1/20 0.40
CA12 O43570 4/20 0.38
CA1 P00915 4/20 0.38
CA2 P00918 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 0.38
ALDH1A1 P00352 2/20 0.38
THRB P10828 1/20 0.38
RAB9A P51151 1/20 0.37

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
SCHEMBL16309409 0.96 SMN1; SMN2 (0.44) SMN1; SMN2MEN1KMT2AEPHX2PCNA
SCHEMBL12858792 0.89 MEN1 (0.42) MEN1KMT2AEPHX2CA12CA1
SCHEMBL26234016 0.87 EPHX2 (0.42) MEN1KMT2AEPHX2CA12CA1
SCHEMBL25885419 0.85 CASP2 (0.50) SMN1; SMN2MEN1KMT2AEPHX2PCNA
SCHEMBL17447168 0.84 MEN1 (0.41) SMN1; SMN2MEN1KMT2ACA12CA1
SCHEMBL30180923 0.84 EPHX2 (0.50) SMN1; SMN2EPHX2TSHR
SCHEMBL16358264 0.84 CA2 (0.39) SMN1; SMN2MEN1KMT2ACA12CA1
SCHEMBL22515375 0.84 NAAA (0.50) SMN1; SMN2MEN1KMT2AEPHX2PCNA
SCHEMBL12733548 0.82 SMN1; SMN2 (0.46) SMN1; SMN2MEN1KMT2AEPHX2PCNA
SCHEMBL16329534 0.82 SMN1; SMN2 (0.46) SMN1; SMN2MEN1KMT2AEPHX2PCNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286365-A1 PEPTIDE-PEPTIDASE-INHIBITOR CONJUGATES AND METHODS OF MAKING AND USING SAME AMYLIN PHARMACEUTICALS, INC. (US) 2010-11-11 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-20100286365-A1 PEPTIDE-PEPTIDASE-INHIBITOR CONJUGATES AND METHODS OF MAKING AND USING SAME DNPEP, PEPD, VIP SMN1; SMN2 3449/4885MEN1 674/4885KMT2A 2595/4885

“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.