SCHEMBL6540205

SCHEMBL6540205

O=S(=O)(c1ccc(O)cc1)c1ccc(CCNCc2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.69
CA2 P00918 8/20 0.69
CA12 O43570 5/20 0.67
CA9 Q16790 4/20 0.67
CA4 P22748 3/20 0.67
BCHE P06276 3/20 0.62
GAA P10253 1/20 0.57
MAPT P10636 1/20 0.57
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
SLC2A1 P11166 1/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ATM Q13315 1/20 0.51

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
SCHEMBL6541181 0.92 CA1 (0.58) CA1CA2CA12CA9CA4
SCHEMBL6541651 0.89 CA1 (0.63) CA1CA2CA12CA9CA4
SCHEMBL6541483 0.89 CA1 (0.56) CA1CA2CA12CA9CA4
SCHEMBL6541401 0.88 CA1 (0.59) CA1CA2CA12CA9CA4
SCHEMBL3695539 0.87 BCHE (0.77) CA1CA2BCHEGAAMAPT
SCHEMBL580289 0.87 BCHE (0.77) CA1CA2BCHEGAAMAPT
Hydrochloric Acid SCHEMBL9332806 0.86 GAA (0.78) CA1CA2BCHEGAAMAPT
SCHEMBL6805116 0.86 CA1 (0.63) CA1CA2CA12CA9CA4
SCHEMBL6541122 0.86 CA1 (0.68) CA1CA2CA12CA9CA4
SCHEMBL597987 0.85 CA1 (0.69) CA1CA2CA12CA9CA4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 US disclosed
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-1389185-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 EP disclosed
WO-2002094770-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-28 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 (2 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-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 CA1 4181/4885CA2 2242/4885CA12 4283/4885
US-20040106653-A1 Aminoalcohol derivatives FANCD2, FANCI, HRH2 CA1 2450/4885CA2 696/4885CA12 1959/4885

“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.