SCHEMBL6310823

SCHEMBL6310823

Cc1csc(SCC(C(=O)OCc2ccc(Oc3ccccc3)cc2)C(O)c2cccnc2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 1/20 0.38
ALDH1A1 P00352 3/20 0.37
POLB P06746 2/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 2/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
THRB P10828 1/20 0.37
MMP13 P45452 1/20 0.36
GRM5 P41594 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PSMB5 P28074 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NPY5R Q15761 1/20 0.34

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
SCHEMBL6308945 0.84 LMNA (0.40) ADRB3ALDH1A1LMNAKMT2ATP53
SCHEMBL6310041 0.82 LMNA (0.38) ADRB3ALDH1A1POLBLMNAKMT2A
SCHEMBL3071336 0.81 FFAR1 (0.37) ADRB3ALDH1A1GAAKMT2AMEN1
SCHEMBL3061593 0.81 ADRB3 (0.36) ADRB3ALDH1A1LMNAKMT2AMEN1
SCHEMBL6394358 0.77 PSMB5 (0.48) ADRB3GAALMNAKMT2ATP53
SCHEMBL3069625 0.75 LMNA (0.45) ADRB3LMNAKMT2ATP53PSMB5
SCHEMBL6316513 0.73 FFAR1 (0.41) ADRB3ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL6310888 0.73 KCNA5 (0.35) ADRB3ALDH1A1GAALMNAKMT2A
SCHEMBL3081201 0.72 TSHR (0.46) ADRB3LMNAKMT2AMMP13TP53
SCHEMBL3067158 0.72 FFAR1 (0.36) ADRB3L3MBTL1TP53MAPT

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-20050277663-A1 3-Aryl-3-hydroxy-and 3-aryl-3-oxopropionic acid esters as fungicides ATP CAPITAL LP 2005-12-15 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-20050277663-A1 3-Aryl-3-hydroxy-and 3-aryl-3-oxopropionic acid esters as fungicides CYP21A2, HAO1, AHR ADRB3 109/4885ALDH1A1 99/4885POLB 4519/4885

“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.