SCHEMBL16684111

SCHEMBL16684111

CNC(CC1CCCCC1)C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.44
CTSL P07711 7/20 0.41
CTSB P07858 7/20 0.41
CTSH P09668 4/20 0.41
CTSS P25774 2/20 0.41
PADI1 Q9ULC6 1/20 0.39
PADI4 Q9UM07 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
GRN P28799 1/20 0.38
SORT1 Q99523 1/20 0.38

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
SCHEMBL19088561 0.91 CNR2 (0.40) CTSKCTSLCTSBCTSHCTSS
SCHEMBL18435573 0.84 CTSK (0.47) CTSKCTSLCTSBCTSHCTSS
SCHEMBL23513830 0.84 CTSK (0.47) CTSKCTSLCTSBCTSHCTSS
SCHEMBL31252283 0.84 CTSK (0.40) CTSKCTSLCTSBCTSHCTSS
SCHEMBL25523633 0.83 CTSK (0.45) CTSKCTSLCTSBCTSHCTSS
SCHEMBL23052492 0.83 REN (0.44) CTSKCTSLCTSBCTSHCTSS
SCHEMBL24690943 0.83 CTSK (0.42) CTSKCTSLCTSBCTSHCTSS
SCHEMBL805198 0.81 GRN (0.50) CTSKCTSLCTSBCTSSGRN
SCHEMBL7566961 0.81 GRN (0.50) CTSKCTSLCTSBCTSSGRN
SCHEMBL8310083 0.81 CTSK (0.43) CTSKCTSLCTSBCTSHCTSS

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-20210179580-A1 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PD1/PD-L1 ACTIVATION Jubilant Prodel LLC 2021-06-17 US disclosed
WO-2015058868-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER PANGAEA BIOTECH, S.L. (ES) 2015-04-30 WO 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-20210179580-A1 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PD1/PD-L1 ACTIVATION PDCD1, CD274, PDCD1LG2 CTSK 2427/4885CTSL 887/4885CTSB 1930/4885

“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.