SCHEMBL21160710

SCHEMBL21160710

CC(C)/C=C(\C#N)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.33
CTSS P25774 4/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
Morpholine SCHEMBL28452316 0.84 USP2 (0.31) CTSSCTSLCTSB
SCHEMBL13966679 0.79 CYP2C9 (0.34) CTSKALDH1A1MEN1KMT2ACYP2C9
SCHEMBL7548580 0.79 CYP2C9 (0.34) CTSKALDH1A1MEN1KMT2ACYP2C9
SCHEMBL3111041 0.79 ADORA2A (0.40) ALDH1A1MEN1KMT2ACYP2C9
SCHEMBL3111039 0.79 ADORA2A (0.40) ALDH1A1MEN1KMT2ACYP2C9
SCHEMBL23835986 0.79 ADORA2A (0.40) ALDH1A1MEN1KMT2ACYP2C9
SCHEMBL24089780 0.77 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ACYP2C9
SCHEMBL21160731 0.77 CYP2C9 (0.33) CTSKALDH1A1MEN1KMT2ACYP2C9
SCHEMBL667302 0.76 CYP2C9 (0.33) ALDH1A1CYP2C9
SCHEMBL17030773 0.75 ALDH1A1 (0.50) ALDH1A1MEN1KMT2A

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-11209437-B2 Fluorescent probe and preparation method and use thereof FLUORESCENCE DIAGNOSIS (SHANGHAI) BIOTECH COMPANY (CN) 2021-12-28 US disclosed
US-20190187144-A1 FLUORESCENT PROBE AND PREPARATION METHOD AND USE THEREOF EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2019-06-20 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 (2 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-20190187144-A1 FLUORESCENT PROBE AND PREPARATION METHOD AND USE THEREOF HNRNPF, HNRNPUL2, RAB5IF CTSK 1116/4885CTSS 1562/4885ALDH1A1 3152/4885
US-11209437-B2 Fluorescent probe and preparation method and use thereof HNRNPF, HNRNPUL2, RAB5IF CTSK 1116/4885CTSS 1562/4885ALDH1A1 3152/4885

“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.