SCHEMBL16309409

SCHEMBL16309409

CCOCCNC(=O)CCS

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
PCNA P12004 1/20 0.41
EPHX2 P34913 1/20 0.41
TSHR P16473 3/20 0.40
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CASP2 P42575 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36

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
SCHEMBL13073508 0.96 SMN1; SMN2 (0.42) SMN1; SMN2PCNAEPHX2TSHRRAB9A
SCHEMBL26234016 0.87 EPHX2 (0.42) EPHX2TSHRCASP2CA1CA2
SCHEMBL12858792 0.85 MEN1 (0.42) EPHX2TSHRCASP2CA1CA2
SCHEMBL277913 0.85 SMN1; SMN2 (0.44) SMN1; SMN2TSHRRAB9AALDH1A1CASP2
SCHEMBL12107521 0.84 CASP2 (0.53) SMN1; SMN2PCNAEPHX2TSHRCASP2
SCHEMBL17145353 0.84 EPHX2 (0.42) SMN1; SMN2PCNAEPHX2TSHRRAB9A
SCHEMBL23730060 0.82 SMN1; SMN2 (0.60) SMN1; SMN2PCNAEPHX2TSHRRAB9A
SCHEMBL27447771 0.82 NAAA (0.53) SMN1; SMN2PCNAEPHX2TSHRRAB9A
SCHEMBL16525091 0.81 DNM1 (0.57) EPHX2CASP2DNM1CNR1
SCHEMBL24256573 0.81 SMN1; SMN2 (0.44) SMN1; SMN2PCNAEPHX2TSHRRAB9A

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-20140371148-A1 PEPTIDE-PEPTIDASE INHIBITOR CONJUGATES AND METHODS OF USING SAME ASTRAZENECA PHARMACEUTICALS LP 2014-12-18 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-20140371148-A1 PEPTIDE-PEPTIDASE INHIBITOR CONJUGATES AND METHODS OF USING SAME DNPEP, PEPD, VIP SMN1; SMN2 3541/4885PCNA 1978/4885EPHX2 1742/4885

“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.