SCHEMBL22198634

SCHEMBL22198634

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

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ C3AR1 Q16581 1/20 0.34
▸ FURIN P09958 5/20 0.34
▸ POLB P06746 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ SIRT5 Q9NXA8 1/20 0.31
▸ SIRT6 Q8N6T7 1/20 0.31
▸ SIRT1 Q96EB6 1/20 0.31
▸ CTDSP1 Q9GZU7 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
SCHEMBL20803561 1.00 C3AR1 (0.34) C3AR1FURINPOLBLMNAKMT2A
SCHEMBL22692383 1.00 C3AR1 (0.34) C3AR1FURINPOLBLMNAKMT2A
SCHEMBL21914949 1.00 C3AR1 (0.34) C3AR1FURINPOLBLMNAKMT2A
SCHEMBL17992599 1.00 C3AR1 (0.34) C3AR1FURINPOLBLMNAKMT2A
SCHEMBL21914903 1.00 C3AR1 (0.34) C3AR1FURINPOLBLMNAKMT2A
SCHEMBL24173258 1.00 C3AR1 (0.34) C3AR1FURINPOLBLMNAKMT2A
SCHEMBL23961958 0.96 SIRT6 (0.35) C3AR1FURINPOLBLMNAKMT2A
SCHEMBL24172987 0.92 FURIN (0.33) C3AR1FURINPOLBLMNAKMT2A
SCHEMBL23105946 0.91 C3AR1 (0.33) C3AR1SIRT5SIRT6SIRT1CTDSP1
SCHEMBL21503810 0.91 C3AR1 (0.33) C3AR1SIRT5SIRT6SIRT1CTDSP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200215199-A1 COMPOUNDS FOR TREATING CANCER BICYCLETX LIMITED (GB) 2020-07-09 — — 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-20200215199-A1 COMPOUNDS FOR TREATING CANCER TP53, VHL, MYC C3AR1 4007/4885FURIN 3576/4885POLB 607/4885

“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.

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