SCHEMBL21914973

SCHEMBL21914973

CCCC(C)NC(C(=O)N[C@@H](CCCNC(N)=O)C(=O)C(C)CC)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ SIRT6 Q8N6T7 1/20 0.32
▸ SIRT1 Q96EB6 1/20 0.32
▸ FURIN P09958 4/20 0.31
▸ REN P00797 1/20 0.30
▸ NOD1 Q9Y239 1/20 0.30
▸ C3AR1 Q16581 1/20 0.30
▸ CTSL P07711 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
SCHEMBL24703694 0.90 SMN1; SMN2 (0.32) SMN1; SMN2SIRT6SIRT1FURINREN
SCHEMBL18818915 0.86 REN (0.34) SMN1; SMN2SIRT6SIRT1FURINREN
SCHEMBL23106115 0.86 SMN1; SMN2 (0.33) SMN1; SMN2SIRT6SIRT1FURINREN
SCHEMBL25070715 0.83 FURIN (0.31) SMN1; SMN2SIRT6SIRT1FURINREN
SCHEMBL22692385 0.83 SIRT6 (0.38) SMN1; SMN2SIRT6SIRT1FURINNOD1
SCHEMBL21915906 0.81 SIRT6 (0.36) SMN1; SMN2SIRT6SIRT1FURINNOD1
SCHEMBL25070732 0.80 SIRT6 (0.41) SMN1; SMN2SIRT6SIRT1FURINNOD1
SCHEMBL21914949 0.79 C3AR1 (0.34) SMN1; SMN2SIRT6SIRT1FURINC3AR1
SCHEMBL24173258 0.79 C3AR1 (0.34) SMN1; SMN2SIRT6SIRT1FURINC3AR1
SCHEMBL22198634 0.79 C3AR1 (0.34) SMN1; SMN2SIRT6SIRT1FURINC3AR1

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-20210198314-A1 HEMIASTERLIN DERIVATIVES FOR CONJUGATION AND THERAPY SUTRO BIOPHARMA, INC. 2021-07-01 — — US disclosed
US-10624968-B2 Compounds for treating cancer Bicyclerd Limited (GB) 2020-04-21 — — 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-10624968-B2 Compounds for treating cancer TP53, VHL, MYC SMN1; SMN2 3956/4885SIRT6 1621/4885SIRT1 1018/4885
US-20210198314-A1 HEMIASTERLIN DERIVATIVES FOR CONJUGATION AND THERAPY CYP17A1, HSD17B7, SHBG SMN1; SMN2 2005/4885SIRT6 2884/4885SIRT1 2724/4885

“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