SCHEMBL3608245

SCHEMBL3608245

CCCCCC(=O)CC(=S)N1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
HTT P42858 4/20 0.50
ALDH1A1 P00352 4/20 0.50
LMNA P02545 2/20 0.50
POLB P06746 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.43
GLA P06280 1/20 0.42
HPGD P15428 1/20 0.41
HAO1 Q9UJM8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 1/20 0.40

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
SCHEMBL9871000 0.83 HTT (0.49) SMN1; SMN2HTTALDH1A1LMNAPOLB
SCHEMBL3742384 0.83 HTT (0.50) SMN1; SMN2HTTALDH1A1LMNAPOLB
SCHEMBL12702680 0.82 ALDH1A1 (0.49) SMN1; SMN2HTTALDH1A1LMNAPOLB
SCHEMBL4288265 0.82 ALDH1A1 (0.49) SMN1; SMN2HTTALDH1A1LMNAPOLB
SCHEMBL15016039 0.79 HTT (0.53) SMN1; SMN2HTTALDH1A1LMNAPOLB
SCHEMBL2718359 0.76 L3MBTL1 (0.69) SMN1; SMN2HTTALDH1A1LMNAPOLB
SCHEMBL6681364 0.76 HTT (0.51) SMN1; SMN2HTTALDH1A1LMNAPOLB
SCHEMBL474080 0.75 L3MBTL1 (0.67) SMN1; SMN2ALDH1A1LMNAPOLBMEN1
SCHEMBL8972298 0.75 L3MBTL1 (0.67) SMN1; SMN2ALDH1A1LMNAPOLBMEN1
SCHEMBL8972353 0.75 L3MBTL1 (0.67) SMN1; SMN2ALDH1A1LMNAPOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7674823-B2 DNA-PK inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2010-03-09 US disclosed
US-20070238729-A1 DNA-PK INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-10-11 US disclosed
US-7226918-B2 DNA-PK inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-06-05 US disclosed
US-20040192687-A1 Dna-pk inhibitors CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2004-09-30 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 (2 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-20040192687-A1 Dna-pk inhibitors ATM, CHEK1, XRCC6 SMN1; SMN2 4291/4885HTT 3741/4885ALDH1A1 3564/4885
US-20070238729-A1 DNA-PK INHIBITORS ATM, CHEK2, CHEK1 SMN1; SMN2 4287/4885HTT 4043/4885ALDH1A1 4037/4885

“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.