SCHEMBL18199500

SCHEMBL18199500

C=C(CC(C)C)NCCNC(=O)CC(C)C

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 6/20 0.44
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 3/20 0.44
PSMB5 P28074 1/20 0.39
PTPN1 P18031 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 3/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
MEN1 O00255 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NAMPT P43490 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
SCHEMBL18199499 0.92 SMN1; SMN2 (0.54) SMN1; SMN2TP53HPGDALDH1A1KMT2A
SCHEMBL27432526 0.90 SMN1; SMN2 (0.53) SMN1; SMN2TP53HPGDALDH1A1KMT2A
SCHEMBL18908668 0.87 SMN1; SMN2 (0.59) SMN1; SMN2TP53HPGDALDH1A1KMT2A
SCHEMBL23840993 0.79 SMN1; SMN2 (0.45) SMN1; SMN2TP53HPGDALDH1A1KMT2A
SCHEMBL9034868 0.78 SMN1; SMN2 (0.52) SMN1; SMN2TP53HPGDALDH1A1KMT2A
SCHEMBL18716191 0.78 SMN1; SMN2 (0.52) SMN1; SMN2TP53HPGDALDH1A1KMT2A
SCHEMBL19116931 0.78 TP53 (0.52) SMN1; SMN2TP53HPGDALDH1A1KMT2A
SCHEMBL15998123 0.78
SCHEMBL23665086 0.78 KMT2A (0.56) SMN1; SMN2TP53HPGDALDH1A1KMT2A
SCHEMBL18199495 0.78 SMN1; SMN2 (0.66) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10039809-B2 Modified therapeutic agents, stapled peptide lipid conjugates, and compositions thereof THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2018-08-07 US disclosed
US-10010589-B2 2018-07-03 US disclosed
US-20160317623-A1 MODIFIED THERAPEUTIC AGENTS, STAPLED PEPTIDE LIPID CONJUGATES, AND COMPOSITIONS THEREOF THE SCRIPPS RESEARCH INSTITUTE 2016-11-03 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-20160317623-A1 MODIFIED THERAPEUTIC AGENTS, STAPLED PEPTIDE LIPID CONJUGATES, AND COMPOSITIONS THEREOF SGMS1, SGMS2, PHOSPHO1 SMN1; SMN2 1134/4885TP53 581/4885HPGD 4004/4885
US-10010589-B2 TYMP, MTAP, TUBB6 SMN1; SMN2 599/4885TP53 325/4885HPGD 1325/4885
US-10039809-B2 Modified therapeutic agents, stapled peptide lipid conjugates, and compositions thereof SGMS1, SGMS2, PHOSPHO1 SMN1; SMN2 1134/4885TP53 581/4885HPGD 4004/4885

“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.