SCHEMBL16790769

SCHEMBL16790769

CC(=O)[C@H](CCCCNC(=O)CCl)NC(=O)CCl

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 2/20 0.53
FOLH1 Q04609 1/20 0.41
ALB P02768 3/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SIRT6 Q8N6T7 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
SIRT5 Q9NXA8 2/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
NOD1 Q9Y239 2/20 0.35
CASP2 P42575 1/20 0.34
FAAH O00519 1/20 0.34
ALDH1A2 O94788 1/20 0.33
ALDH2 P05091 1/20 0.33
ALDH1A3 P47895 1/20 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
SCHEMBL18412629 0.88 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1FOLH1ALBMEN1
SCHEMBL16790733 0.86 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1FOLH1ALBMEN1
SCHEMBL20528854 0.84 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1FOLH1ALBNOD1
SCHEMBL20528853 0.84 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1FOLH1ALBNOD1
SCHEMBL13402312 0.83 MEN1 (0.59) FOLH1ALBMEN1KMT2ASIRT6
SCHEMBL16790748 0.83 ALB (0.42) FOLH1ALBMEN1KMT2ASIRT6
SCHEMBL19441322 0.82 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1FOLH1ALBMEN1
SCHEMBL23463268 0.80 ALB (0.43) ALDH1A1FOLH1ALBMEN1KMT2A
SCHEMBL12060995 0.80 NAAA (0.53) FOLH1ALBMEN1KMT2ASIRT6
SCHEMBL19069648 0.80 ALB (0.56) SMN1; SMN2ALDH1A1FOLH1ALBSIRT6

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-9783571-B2 Isolation of cysteine containing peptides MARTIN WARHAM LANCE (US) 2017-10-10 US disclosed
US-20150158905-A1 Isolation of Cysteine Containing Peptides MARTIN WARHAM LANCE (US) 2015-06-11 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-20150158905-A1 Isolation of Cysteine Containing Peptides LNPEP, CSTB, CPB1 SMN1; SMN2 3838/4885ALDH1A1 4198/4885FOLH1 59/4885

“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.