SCHEMBL6679837

SCHEMBL6679837

CCOC(=O)c1ccccc1Oc1cccc(S(=O)(=O)c2ccc(CCNCc3ccccc3)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
ATM Q13315 1/20 0.43
CA2 P00918 4/20 0.43
CA1 P00915 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
CA4 P22748 2/20 0.43
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
ALDH1A1 P00352 4/20 0.40
NPSR1 Q6W5P4 2/20 0.40
KDM4E B2RXH2 1/20 0.40
SFRP1 Q8N474 1/20 0.40
ABL1 P00519 1/20 0.40

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
SCHEMBL6676306 0.92 OPRM1 (0.49) KMT2AMEN1ATMCA2CA1
SCHEMBL6679332 0.87 SMN1; SMN2 (0.49) KMT2AMEN1ATMCA2CA1
SCHEMBL6680443 0.86 SMN1; SMN2 (0.54) KMT2AMEN1ATMCA2CA1
SCHEMBL6539474 0.83 SMN1; SMN2 (0.52) KMT2AMEN1ATMCA2CA1
SCHEMBL6540180 0.83 SMN1; SMN2 (0.55) KMT2AMEN1ATMCA2CA1
SCHEMBL6679489 0.82 CA1 (0.51) KMT2AMEN1ATMCA2CA1
SCHEMBL6679701 0.82 CA1 (0.51) KMT2AMEN1ATMCA2CA1
SCHEMBL6540016 0.81 CA1 (0.47) KMT2AMEN1ATMCA2CA1
SCHEMBL6539983 0.80 PPARA (0.49) KMT2AMEN1ATMCA2CA1
SCHEMBL6540593 0.80 SMN1; SMN2 (0.59) KMT2AMEN1CA2CA1SMN1; SMN2

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-20040106653-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-03 US disclosed
WO-2004045610-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-06-03 WO 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-20040106653-A1 Aminoalcohol derivatives FANCD2, FANCI, HRH2 KMT2A 505/4885MEN1 4031/4885ATM 3328/4885

“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.