SCHEMBL16772164

SCHEMBL16772164

CNC(C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC)cc1)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 3/20 0.44
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ SIRT2 Q8IXJ6 7/20 0.39
▸ SIRT1 Q96EB6 6/20 0.39
▸ SIRT3 Q9NTG7 3/20 0.39
▸ SIRT5 Q9NXA8 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ NPY1R P25929 1/20 0.38
▸ NPY4R P50391 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38

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
SCHEMBL16479283 1.00 FURIN (0.44) FURINHTTSMN1; SMN2SIRT2SIRT1
SCHEMBL25124339 0.91 FURIN (0.43) FURINHTTSMN1; SMN2SIRT2SIRT1
SCHEMBL22147928 0.91 FURIN (0.41) FURINHTTSMN1; SMN2SIRT2SIRT1
SCHEMBL25765345 0.91 SIRT2 (0.42) FURINHTTSMN1; SMN2SIRT2SIRT1
SCHEMBL21901403 0.90 SIRT2 (0.42) FURINHTTSMN1; SMN2SIRT2SIRT1
SCHEMBL25098213 0.90 SIRT2 (0.42) FURINHTTSMN1; SMN2SIRT2SIRT1
SCHEMBL20750038 0.90 SIRT2 (0.42) FURINHTTSMN1; SMN2SIRT2SIRT1
SCHEMBL21318749 0.90 SIRT2 (0.42) FURINHTTSMN1; SMN2SIRT2SIRT1
SCHEMBL16202562 0.90 SIRT2 (0.42) FURINHTTSMN1; SMN2SIRT2SIRT1
SCHEMBL24638624 0.90 SIRT2 (0.42) FURINHTTSMN1; SMN2SIRT2SIRT1

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-9878047-B2 Prodrugs of peptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2018-01-30 — — US disclosed
US-20150152187-A1 Anti-PSMA Antibodies Conjugated to Nuclear Receptor Ligand Polypeptides AMBRX, INC. (US) 2015-06-04 — — 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-20150152187-A1 Anti-PSMA Antibodies Conjugated to Nuclear Receptor Ligand Polypeptides AR, PSMA1, NR2E3 FURIN 1732/4885HTT 4197/4885SMN1; SMN2 2839/4885

“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.

Send feedback