SCHEMBL10017830

SCHEMBL10017830

CCCNC(=O)CCN1C(=O)CC(C(C)(C)C)C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.36
GAA P10253 2/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 4/20 0.35
POLB P06746 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
TP53 P04637 2/20 0.33

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
SCHEMBL21933100 0.92 TP53 (0.39) KMT2AALDH1A1MEN1POLBSMN1; SMN2
SCHEMBL17944136 0.88 SIGMAR1 (0.38) KMT2AGAAALDH1A1MEN1POLB
SCHEMBL18120584 0.88 SMN1; SMN2 (0.38) KMT2AGAAALDH1A1MEN1POLB
SCHEMBL20647310 0.87 SMN1; SMN2 (0.41) KMT2AGAAALDH1A1MEN1POLB
SCHEMBL22702626 0.87 SMN1; SMN2 (0.37) GAAALDH1A1POLBSMN1; SMN2HPGD
SCHEMBL20034721 0.86 SMN1; SMN2 (0.40) KMT2AALDH1A1MEN1SMN1; SMN2HPGD
SCHEMBL21928974 0.86 ALDH1A1 (0.34) KMT2AGAAALDH1A1MEN1POLB
SCHEMBL17944164 0.86 HDAC3 (0.37) KMT2AGAAALDH1A1MEN1POLB
SCHEMBL20078656 0.86 LMNA (0.42) KMT2AALDH1A1MEN1POLBSMN1; SMN2
SCHEMBL20034715 0.85 CASP2 (0.42) KMT2AALDH1A1MEN1SMN1; SMN2HPGD

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-20120014975-A1 MODIFIED SINGLE DOMAIN ANTIGEN BINDING MOLECULES AND USES THEREOF WYETH LLC (US) 2012-01-19 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-20120014975-A1 MODIFIED SINGLE DOMAIN ANTIGEN BINDING MOLECULES AND USES THEREOF TNFSF11, CD40, CD2BP2 KMT2A 3901/4885GAA 1004/4885ALDH1A1 3220/4885

“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.