SCHEMBL2998867

SCHEMBL2998867

CCNC(=O)[C@H](CS)NC(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 14/20 0.56
CTSK P43235 14/20 0.56
CAPN1 P07384 1/20 0.53
CTSL P07711 2/20 0.50
CTSB P07858 2/20 0.50
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL8239753 0.87 CTSS (0.72) CTSSCTSKCAPN1CTSLCTSB
SCHEMBL14611701 0.85 CTSS (0.57) CTSSCTSKCAPN1CTSLCTSB
SCHEMBL9559452 0.84 CTSS (0.54) CTSSCTSKCTSLCTSB
SCHEMBL9559449 0.84 CTSS (0.54) CTSSCTSKCTSLCTSB
SCHEMBL28544565 0.84 CTSS (0.50) CTSSCTSKCAPN1CTSLCTSB
SCHEMBL28544563 0.84 CTSS (0.50) CTSSCTSKCAPN1CTSLCTSB
SCHEMBL31285591 0.84 CYP1A2 (0.53) CTSSCTSKCAPN1CTSLCTSB
SCHEMBL14145896 0.83 CTSK (0.48) CTSSCTSKCTSLCTSBCYP1A2
SCHEMBL14984665 0.83 CTSK (0.48) CTSSCTSKCTSLCTSBCYP1A2
SCHEMBL1564513 0.83 KDM4E (0.55) CTSSCTSKCTSLCTSB

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-20100197749-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB 2010-08-05 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-20100197749-A1 CHEMICAL COMPOUNDS EDF1, ECE1, EDNRA CTSS 2930/4885CTSK 3115/4885CAPN1 3243/4885

“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.