SCHEMBL22060165

SCHEMBL22060165

CC(C)C[C@H](NCCNC(C)(C)C)C(=O)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.36
CTSS P25774 2/20 0.36
CTSK P43235 2/20 0.36
CTSB P07858 1/20 0.36
CAPN1 P07384 1/20 0.35
ALDH1A1 P00352 2/20 0.34
BCHE P06276 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
KISS1R Q969F8 1/20 0.31
MAPT P10636 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 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
SCHEMBL22059701 0.83 CTSL (0.36) CTSLCTSSCTSKCTSBCAPN1
SCHEMBL22060164 0.75 ALDH1A1 (0.37) CTSLCTSSCTSKCTSBCAPN1
SCHEMBL27325467 0.74 MMP3 (0.44) CTSSCTSKALDH1A1MEN1LMNA
SCHEMBL8112636 0.72 CTSK (0.60) CTSLCTSSCTSKCTSBCAPN1
SCHEMBL20074134 0.71 TP53BP1 (0.30)
SCHEMBL23682617 0.71 CTSK (0.45) CTSLCTSSCTSKCTSBCAPN1
SCHEMBL21470940 0.69 TP53BP1 (0.34)
SCHEMBL22803421 0.69 POLB (0.35)
SCHEMBL12837978 0.69 ALDH1A1 (0.43) ALDH1A1MEN1LMNAKMT2AKISS1R
SCHEMBL16327374 0.69 ALDH1A1 (0.43) ALDH1A1MEN1LMNAKMT2AKISS1R

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-20200172575-A1 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND XDCEXPLORER (SHANGHAI) CO., LTD. (CN) 2020-06-04 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-20200172575-A1 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND KISS1R, VIP, NPY1R CTSL 1813/4885CTSS 2804/4885CTSK 1962/4885

“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.