SCHEMBL6677121

SCHEMBL6677121

O=S(=O)(c1ccc(CCCNCc2ccccc2)cc1)c1cccc(O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.50
CA2 P00918 4/20 0.50
CA12 O43570 2/20 0.50
CA9 Q16790 2/20 0.50
CA4 P22748 1/20 0.50
HDAC1 Q13547 2/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
BCHE P06276 3/20 0.49
SIGMAR1 Q99720 3/20 0.49
MPO P05164 2/20 0.46
TPSAB1 Q15661 1/20 0.45

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
SCHEMBL6541401 0.93 CA1 (0.59) CA1CA2CA12CA9CA4
SCHEMBL6540229 0.89 HTR6 (0.51) CA1CA2CA12CA9CA4
SCHEMBL6541181 0.89 CA1 (0.58) CA1CA2CA12CA9CA4
SCHEMBL6539919 0.85 HTR6 (0.51) CA1CA2CA12CA9CA4
SCHEMBL6676685 0.82 CHRM2 (0.51) CA1CA2CA12CA9CA4
SCHEMBL6541483 0.81 CA1 (0.56) CA1CA2CA12CA9CA4
SCHEMBL6540205 0.80 CA1 (0.69) CA1CA2CA12CA9CA4
SCHEMBL6540358 0.78 MPO (0.51) CA1CA2CA12CA9CA4
SCHEMBL3763771 0.78 HTR6 (0.59)
SCHEMBL3763353 0.78 HTR6 (0.59)

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 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.