SCHEMBL6680446

SCHEMBL6680446

CCOC(=O)c1cc(S(=O)(=O)c2ccc(CCCNCc3ccccc3)cc2)ccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.48
ALDH1A1 P00352 4/20 0.48
HPGD P15428 2/20 0.48
POLB P06746 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HDAC1 Q13547 2/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
CA4 P22748 1/20 0.44
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

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
SCHEMBL6679489 0.94 CA1 (0.51) KDM4EALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL6678367 0.92 SMN1; SMN2 (0.46) SMN1; SMN2MEN1KMT2AHDAC1CA12
SCHEMBL6679701 0.86 CA1 (0.51) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6541404 0.86 SMN1; SMN2 (0.65) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL6681287 0.85 DRD4 (0.49) KDM4EALDH1A1HPGDPOLBMEN1
SCHEMBL6675966 0.85 CA1 (0.54) KDM4EALDH1A1HPGDPOLBMEN1
SCHEMBL6539474 0.83 SMN1; SMN2 (0.52) KDM4EALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL6540016 0.81 CA1 (0.47) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6541100 0.79 SMN1; SMN2 (0.68) KDM4EALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL6540180 0.79 SMN1; SMN2 (0.55) ALDH1A1HPGDPOLBSMN1; SMN2MEN1

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 KDM4E 994/4885ALDH1A1 168/4885HPGD 2183/4885

“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.