SCHEMBL21160422

SCHEMBL21160422

CN(CCCC(=O)O)c1ccc2cc(C=O)sc2c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP14 P50281 1/20 0.40
CYP2A6 P11509 4/20 0.39
TMPRSS15 P98073 4/20 0.36
FFAR4 Q5NUL3 6/20 0.34
GAA P10253 1/20 0.33
HDAC3 O15379 1/20 0.32
PTGS1 P23219 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
S1PR4 O95977 1/20 0.31
S1PR5 Q9H228 1/20 0.31
PPARG P37231 1/20 0.31

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
SCHEMBL21234872 0.86 CYP2A6 (0.36) CYP2A6HDAC3HDAC4HDAC1HDAC2
SCHEMBL21036814 0.83 CYP2A6 (0.44) CYP2A6
SCHEMBL21160423 0.77 ALDH1A1 (0.33) MMP14TMPRSS15
SCHEMBL21160424 0.77 MMP14 (0.43) MMP14TMPRSS15FFAR4GAA
SCHEMBL21234686 0.75 CYP2A6 (0.53) CYP2A6GAAPPARG
SCHEMBL21160417 0.72 CYP2A6 (0.46) MMP14CYP2A6GAA
SCHEMBL21234766 0.71 CYP2A6 (0.39) CYP2A6GAA
SCHEMBL12892567 0.69 MMP14 (0.57) MMP14FFAR4GAAHDAC3HDAC4
SCHEMBL21160459 0.69 MMP14 (0.39) MMP14TMPRSS15FFAR4HDAC3PTGS1
SCHEMBL28446159 0.69 MMP14 (0.48) MMP14FFAR4GAAHDAC3HDAC1

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 MMP14 2452/4885CYP2A6 4407/4885TMPRSS15 1248/4885
US-11209437-B2 Fluorescent probe and preparation method and use thereof HNRNPF, HNRNPUL2, RAB5IF MMP14 2452/4885CYP2A6 4407/4885TMPRSS15 1248/4885

“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.