SCHEMBL6539774

SCHEMBL6539774

COc1ccc(-c2nc(CSc3ccccn3)oc2-c2ccc(OCCN(OS(C)(=O)=O)S(C)(=O)=O)cc2)cn1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 5/20 0.36
SMN1; SMN2 Q16637 3/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
OXTR P30559 3/20 0.32
ADRB2 P07550 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NR4A2 P43354 1/20 0.30
APOBEC3A P31941 1/20 0.30
HTT P42858 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30

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
SCHEMBL6539790 0.85 PPARD (0.37) PPARDSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL6539671 0.85 PPARD (0.45) PPARDSMN1; SMN2MAPTALDH1A1NR4A2
SCHEMBL6538787 0.85 PPARD (0.41) PPARDSMN1; SMN2ALDH1A1
SCHEMBL6539770 0.84 PPARD (0.38) PPARDSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL6538838 0.84 PPARD (0.38) PPARDSMN1; SMN2
SCHEMBL6539465 0.83 PPARD (0.41) PPARDSMN1; SMN2NR4A2
SCHEMBL6539800 0.81 PPARD (0.43) PPARDSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL6538999 0.81 PPARD (0.43) PPARDALDH1A1KMT2AMEN1HTT
SCHEMBL6539926 0.80 PPARD (0.40) PPARDSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL6539864 0.79 PPARD (0.41) PPARDALDH1A1NR4A2

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-20040157891-A1 Inhibitor of cox FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 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-20040157891-A1 Inhibitor of cox PTGS1, PTGS2, PTGES2 PPARD 1747/4885SMN1; SMN2 3341/4885MAPT 4796/4885

“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.