SCHEMBL13616900

SCHEMBL13616900

CC(C)CC(=O)NCCCC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
TP53 P04637 1/20 0.54
HPGD P15428 5/20 0.49
ALDH1A1 P00352 4/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.39
SIGMAR1 Q99720 1/20 0.37
PSMB5 P28074 1/20 0.37
PTGS1 P23219 1/20 0.36
KCNH2 Q12809 1/20 0.36
ADRA1A P35348 1/20 0.35
DRD3 P35462 1/20 0.35
PTPN1 P18031 1/20 0.34
HTT P42858 1/20 0.34
GAA P10253 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL19456620 0.94 SMN1; SMN2 (0.53) SMN1; SMN2TP53HPGDALDH1A1KMT2A
SCHEMBL25837453 0.93 SMN1; SMN2 (0.51) SMN1; SMN2TP53HPGDALDH1A1KMT2A
SCHEMBL25837450 0.93 SMN1; SMN2 (0.51) SMN1; SMN2TP53HPGDALDH1A1KMT2A
SCHEMBL10224055 0.88 SMN1; SMN2 (0.49) SMN1; SMN2TP53HPGDALDH1A1KMT2A
SCHEMBL18199495 0.83 SMN1; SMN2 (0.66) SMN1; SMN2TP53HPGDALDH1A1KMT2A
SCHEMBL20340484 0.83 SMN1; SMN2 (0.66) SMN1; SMN2TP53HPGDALDH1A1KMT2A
SCHEMBL23518474 0.83 SMN1; SMN2 (0.53) SMN1; SMN2TP53HPGDALDH1A1KMT2A
SCHEMBL20349713 0.83 ALDH1A1 (0.46) SMN1; SMN2TP53HPGDALDH1A1KMT2A
SCHEMBL24948947 0.81 ALDH1A1 (0.48) SMN1; SMN2TP53HPGDALDH1A1KMT2A
SCHEMBL22664242 0.81 ALDH1A1 (0.44) SMN1; SMN2TP53HPGDALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4122925-A1 PROTEOLYSIS REGULATOR AND METHOD FOR USING SAME Medshine Discovery Inc. (CN) 2023-01-25 EP disclosed
US-9463252-B2 Auristatin drug linker conjugates SEATTLE GENETICS, INC. (US) 2016-10-11 US disclosed
US-20140050746-A1 AURISTATIN DRUG LINKER CONJUGATES SEATTLE GENETICS, INC. (US) 2014-02-20 US disclosed
US-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
US-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
US-20110020343-A1 AURISTATIN DRUG LINKER CONJUGATES SEATTLE GENETICS, INC. (US) 2011-01-27 US disclosed
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-05 US disclosed
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-05 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 (3 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-20110020343-A1 AURISTATIN DRUG LINKER CONJUGATES AURKA, AURKC, AURKB SMN1; SMN2 3344/4885TP53 1115/4885HPGD 4166/4885
US-20140050746-A1 AURISTATIN DRUG LINKER CONJUGATES AURKA, AURKC, AURKB SMN1; SMN2 3344/4885TP53 1115/4885HPGD 4166/4885
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE SPINT2, DNPEP, PRSS1 SMN1; SMN2 2568/4885TP53 1360/4885HPGD 2979/4885

“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.