SCHEMBL16227142

SCHEMBL16227142

O=C(NCCc1ccc(OCc2ccccc2)cc1)c1cnc(Cl)nc1NC1CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.64
CTSL P07711 6/20 0.64
CTSK P43235 6/20 0.64
TYRO3 Q06418 5/20 0.50
STAT6 P42226 1/20 0.47
KDM4E B2RXH2 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAOB P27338 1/20 0.45
SELP P16109 1/20 0.44
SGMS2 Q8NHU3 1/20 0.44

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
SCHEMBL16227398 0.87 CTSS (0.85) CTSSCTSLCTSKTYRO3STAT6
SCHEMBL16227482 0.82 NPC1 (0.51) KMT2ASMN1; SMN2
SCHEMBL16227467 0.80 CTSS (0.59) CTSSCTSLCTSKKMT2ASMN1; SMN2
SCHEMBL16231082 0.80 CTSS (0.74) CTSSCTSLCTSKTYRO3STAT6
SCHEMBL16232238 0.78 CTSS (1.00) CTSSCTSLCTSKTYRO3
SCHEMBL16231092 0.77 CTSL (0.77) CTSSCTSLCTSKTYRO3STAT6
SCHEMBL16231098 0.75 CTSS (0.62) CTSSCTSLCTSKTYRO3STAT6
SCHEMBL16232056 0.74 CTSS (1.00) CTSSCTSLCTSKTYRO3
SCHEMBL16227081 0.73 CTSS (0.84) CTSSCTSLCTSKTYRO3STAT6
SCHEMBL16231102 0.73 CTSL (0.79) CTSSCTSLCTSKTYRO3SELP

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-20140336503-A1 RADIOLABELED BIOMARKERS FOR OSTEOCLAST ACTIVATION AND RELATED METHODS THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-11-13 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-20140336503-A1 RADIOLABELED BIOMARKERS FOR OSTEOCLAST ACTIVATION AND RELATED METHODS THEREOF CTSK, CTSF, CTSB CTSS 7/4885CTSL 11/4885CTSK 1/4885

“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.