SCHEMBL6679601

SCHEMBL6679601

CCOC(=O)c1cccc(-c2ccc(S(=O)(=O)c3ccc(CCNCc4ccccc4)cc3)cc2O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.48
CA1 P00915 6/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
CA12 O43570 4/20 0.45
CA9 Q16790 4/20 0.45
CA4 P22748 1/20 0.45
MAPT P10636 3/20 0.43
HDAC1 Q13547 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
ABL1 P00519 1/20 0.40
MAPK1 P28482 1/20 0.40
RIN1 Q13671 1/20 0.40
PTPN1 P18031 1/20 0.39

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
SCHEMBL6540140 0.91 SMN1; SMN2 (0.46) CA2CA1SMN1; SMN2CA12CA9
SCHEMBL6540180 0.89 SMN1; SMN2 (0.55) CA2CA1SMN1; SMN2CA12CA9
SCHEMBL6679701 0.84 CA1 (0.51) CA2CA1SMN1; SMN2CA12CA9
SCHEMBL6679332 0.84 SMN1; SMN2 (0.49) CA2CA1SMN1; SMN2CA12CA9
SCHEMBL6541100 0.84 SMN1; SMN2 (0.68) CA2CA1SMN1; SMN2CA12CA9
SCHEMBL6540909 0.83 SMN1; SMN2 (0.54) CA2CA1SMN1; SMN2MAPTGAA
SCHEMBL6541514 0.82 SMN1; SMN2 (0.53) CA2CA1SMN1; SMN2CA12CA9
SCHEMBL6679489 0.82 CA1 (0.51) CA2CA1SMN1; SMN2CA12CA9
SCHEMBL6540593 0.82 SMN1; SMN2 (0.59) CA2CA1SMN1; SMN2CA12CA9
SCHEMBL6805645 0.81 ADRB3 (0.56)

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 CA2 696/4885CA1 2450/4885SMN1; SMN2 1863/4885

“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.