SCHEMBL21160424

SCHEMBL21160424

CN(CCCC(=O)O)c1ccc2ccsc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP14 P50281 1/20 0.43
TMPRSS15 P98073 2/20 0.36
FFAR4 Q5NUL3 4/20 0.36
CTNNB1 P35222 1/20 0.35
WNT3A P56704 1/20 0.35
GAA P10253 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
POLB P06746 1/20 0.35
CSNK2A2 P19784 2/20 0.34
CSNK2B P67870 2/20 0.34
CSNK2A1 P68400 2/20 0.34
LTB4R Q15722 3/20 0.33
GMNN O75496 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
GABRA1 P14867 1/20 0.33

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
SCHEMBL21160614 0.80 APP (0.40) MRGPRX4OPRM1OPRK1CSNK2A2CSNK2B
SCHEMBL21160422 0.77 MMP14 (0.40) MMP14TMPRSS15FFAR4GAA
SCHEMBL12892567 0.73 MMP14 (0.57) MMP14FFAR4GAALTB4RGMNN
SCHEMBL28446159 0.73 MMP14 (0.48) MMP14FFAR4GAAOPRK1GMNN
SCHEMBL14570563 0.71 MMP14 (0.56) MMP14GAAGMNNALDH1A1LMNA
SCHEMBL2677344 0.71 MMP14 (0.55) MMP14FFAR4ALDH1A1MAPTSMN1; SMN2
SCHEMBL21533456 0.70 MMP14 (0.46) MMP14FFAR4GAAPOLBGMNN
SCHEMBL827260 0.70 APP (0.47) OPRM1OPRK1POLBALDH1A1MAPT
SCHEMBL10905254 0.70 MMP14 (0.55) MMP14TMPRSS15FFAR4GAAGMNN
SCHEMBL417586 0.70 MMP14 (0.55) MMP14FFAR4GMNNALDH1A1LMNA

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 2452/4885TMPRSS15 1248/4885FFAR4 3257/4885
US-11209437-B2 Fluorescent probe and preparation method and use thereof HNRNPF, HNRNPUL2, RAB5IF MMP14 2452/4885TMPRSS15 1248/4885FFAR4 3257/4885

“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.