SCHEMBL6540229

SCHEMBL6540229

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.51
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
MPO P05164 2/20 0.47
SIGMAR1 Q99720 3/20 0.47
BCHE P06276 2/20 0.45
CA12 O43570 1/20 0.45
CA4 P22748 1/20 0.45
CA9 Q16790 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44

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
SCHEMBL6541483 0.92 CA1 (0.56) HTR6CA1CA2MPOBCHE
SCHEMBL6541181 0.90 CA1 (0.58) CA1CA2MPOSIGMAR1BCHE
SCHEMBL6677121 0.89 CA1 (0.50) CA1CA2MPOSIGMAR1BCHE
SCHEMBL3763353 0.84 HTR6 (0.59) HTR6
SCHEMBL3763771 0.84 HTR6 (0.59) HTR6
SCHEMBL6539919 0.83 HTR6 (0.51) HTR6CA1CA2MPOBCHE
SCHEMBL6540205 0.81 CA1 (0.69) CA1CA2BCHECA12CA4
SCHEMBL6541401 0.81 CA1 (0.59) HTR6CA1CA2BCHECA12
SCHEMBL6541651 0.79 CA1 (0.63) HTR6CA1CA2BCHECA12
SCHEMBL6676685 0.79 CHRM2 (0.51) CA1CA2BCHECA12CA4

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-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 US 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 (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-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 HTR6 522/4885CA1 4181/4885CA2 2242/4885

“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.