SCHEMBL20340487

SCHEMBL20340487

C=C(CC(C)C)NC1CC(NC(=O)CC(C)C)C1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.36
HPGD P15428 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM5A P29375 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
TP53 P04637 1/20 0.33
PTPN1 P18031 1/20 0.33
ALDH1A1 P00352 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
EPHX1 P07099 1/20 0.31
HTT P42858 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL20340485 0.89 RAB9A (0.42) RAB9AHPGDCYP3A4CYP2C19KDM5A
SCHEMBL18199502 0.89 RAB9A (0.41) RAB9AHPGDCYP3A4CYP2C19KDM5A
SCHEMBL23634150 0.79 RAB9A (0.38) RAB9AHPGDCYP3A4CYP2C19KDM5A
SCHEMBL24973934 0.79 RAB9A (0.38) RAB9AHPGDCYP3A4CYP2C19KDM5A
SCHEMBL20341084 0.79 L3MBTL1 (0.46) HPGDKDM5ASMN1; SMN2ALDH1A1
SCHEMBL18199501 0.78 ALDH1A1 (0.33) RAB9AHPGDCYP3A4CYP2C19KDM5A
SCHEMBL23518446 0.77 HSD11B1 (0.39) RAB9AHPGDCYP3A4CYP2C19KDM5A
SCHEMBL18199497 0.77 RAB9A (0.49) RAB9AHPGDCYP3A4CYP2C19KDM5A
SCHEMBL5067337 0.77 RAB9A (0.49) RAB9AHPGDCYP3A4CYP2C19KDM5A
SCHEMBL24973923 0.76 RAB9A (0.36) RAB9AHPGDCYP3A4CYP2C19KDM5A

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-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

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-10010589-B2 TYMP, MTAP, TUBB6 RAB9A 2342/4885HPGD 1325/4885CYP3A4 4850/4885
US-10039809-B2 Modified therapeutic agents, stapled peptide lipid conjugates, and compositions thereof SGMS1, SGMS2, PHOSPHO1 RAB9A 897/4885HPGD 4004/4885CYP3A4 4869/4885

“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.