SCHEMBL6678367

SCHEMBL6678367

CCOC(=O)c1ccc(S(=O)(=O)c2ccc(CCCNCc3ccccc3)cc2)cc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
CA2 P00918 5/20 0.44
CA1 P00915 4/20 0.44
CA12 O43570 3/20 0.44
CA9 Q16790 3/20 0.44
CA4 P22748 1/20 0.44
HDAC1 Q13547 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
KMT2A Q03164 3/20 0.41

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
SCHEMBL6679701 0.94 CA1 (0.51) SMN1; SMN2CA2CA1CA12CA9
SCHEMBL6680446 0.92 KDM4E (0.48) SMN1; SMN2CA2CA1CA12CA9
SCHEMBL6679489 0.86 CA1 (0.51) SMN1; SMN2CA2CA1CA12CA9
SCHEMBL6541404 0.86 SMN1; SMN2 (0.65) SMN1; SMN2CA2CA1CA12CA9
SCHEMBL6539474 0.85 SMN1; SMN2 (0.52) SMN1; SMN2CA2CA1CA12CA9
SCHEMBL6540016 0.83 CA1 (0.47) SMN1; SMN2CA2CA1CA12CA9
SCHEMBL6541100 0.79 SMN1; SMN2 (0.68) SMN1; SMN2CA2CA1CA12CA9
SCHEMBL6540180 0.79 SMN1; SMN2 (0.55) SMN1; SMN2CA2CA1CA12CA9
SCHEMBL6679601 0.79 CA2 (0.48) SMN1; SMN2CA2CA1CA12CA9
Hydrochloric Acid SCHEMBL6678371 0.78 ADRB3 (0.53)

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 3 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
EP-1181294-B1 NOVEL DERIVATIVES AND ANALOGUES OF GALANTHAMIN SANOCHEMIA PHARMAZEUTIKA AG (AT) 2004-03-31 EP 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 SMN1; SMN2 1863/4885CA2 696/4885CA1 2450/4885

“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.