SCHEMBL6677922

SCHEMBL6677922

CCOC(=O)c1cc(S(=O)(=O)c2ccc(C[C@@H](C)N)cc2)ccc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.49
CA12 O43570 4/20 0.49
CA1 P00915 4/20 0.49
CA9 Q16790 3/20 0.49
CA7 P43166 3/20 0.49
CA14 Q9ULX7 2/20 0.49
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KMT2A Q03164 1/20 0.40
TAAR1 Q96RJ0 3/20 0.39
SLC6A2 P23975 1/20 0.39
EGFR P00533 2/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA4 P22748 1/20 0.38
MAOB P27338 1/20 0.38

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
Hydrochloric Acid SCHEMBL6800403 0.99 CA2 (0.48) CA2CA12CA1CA9CA7
SCHEMBL6540683 0.87 CA2 (0.40) CA2CA12CA1CA9CA7
SCHEMBL6677650 0.86 CA2 (0.41) CA2CA12CA1CA9CA7
SCHEMBL6540373 0.85 CA2 (0.39) CA2CA12CA1CA9CA7
SCHEMBL6540641 0.85 CA2 (0.46) CA2CA12CA1CA9KDM4E
SCHEMBL6675932 0.84 GAA (0.40) CA2CA12CA1CA9CA7
Hydrochloric Acid SCHEMBL6680444 0.83 ALDH1A1 (0.48) KDM4EALDH1A1ALOX15HSD17B10KMT2A
Hydrochloric Acid SCHEMBL6680440 0.83 ALDH1A1 (0.48) KDM4EALDH1A1ALOX15HSD17B10KMT2A
SCHEMBL6540106 0.83 KMT2A (0.50) CA2CA12CA1CA9CA7
SCHEMBL6539692 0.83 KMT2A (0.50) CA2CA12CA1CA9CA7

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 696/4885CA12 1959/4885CA1 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.