SCHEMBL22962240

SCHEMBL22962240

CCCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)OC

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 1/20 0.60
CTSK P43235 4/20 0.58
CTSS P25774 3/20 0.58
CTSL P07711 1/20 0.58
CTSB P07858 1/20 0.58
REN P00797 2/20 0.58
PTPN1 P18031 1/20 0.56
KLK5 Q9Y337 1/20 0.55
MMP2 P08253 7/20 0.53
MMP1 P03956 2/20 0.53
MMP3 P08254 2/20 0.53

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
SCHEMBL22962429 0.97 REN (0.61) BIRC2CTSKCTSSCTSLCTSB
SCHEMBL24345963 0.95 BIRC2 (0.62) BIRC2CTSKCTSSCTSLCTSB
SCHEMBL29498132 0.93 REN (0.61) BIRC2CTSKCTSSCTSLCTSB
SCHEMBL12890830 0.93 REN (0.61) BIRC2CTSKCTSSCTSLCTSB
SCHEMBL29651542 0.92 REN (0.57) BIRC2CTSKCTSSCTSLCTSB
SCHEMBL20030598 0.89 CTSS (0.68) CTSKCTSSCTSLCTSBREN
SCHEMBL17138017 0.89 CTSS (0.68) CTSKCTSSCTSLCTSBREN
SCHEMBL30135036 0.89 CTSS (0.68) CTSKCTSSCTSLCTSBREN
SCHEMBL17138015 0.89 CTSS (0.68) CTSKCTSSCTSLCTSBREN
SCHEMBL27507036 0.89 CTSS (0.68) CTSKCTSSCTSLCTSBREN

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-20210040150-A1 KAPPA OPIOID RECEPTOR PEPTIDE AMIDE AGONISTS YICHANG HUMANWELL PHARMACEUTICALS CO., LTD. (CN) 2021-02-11 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-20210040150-A1 KAPPA OPIOID RECEPTOR PEPTIDE AMIDE AGONISTS OPRK1, OPRL1, OPRD1 BIRC2 4337/4885CTSK 1207/4885CTSS 2439/4885

“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.