SCHEMBL6540434

SCHEMBL6540434

O=C(O)NCCc1ccc(S(=O)(=O)c2ccc(O)cc2)nc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.52
KCNH2 Q12809 1/20 0.52
KDM4E B2RXH2 1/20 0.42
F13A1 P00488 1/20 0.42
NAMPT P43490 6/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
KMT2A Q03164 1/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
PLAAT3 P53816 1/20 0.40
PLAAT5 Q96KN8 1/20 0.40
PLAAT2 Q9NWW9 1/20 0.40
PLAAT4 Q9UL19 1/20 0.40
KDM1A O60341 1/20 0.39
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL6540455 0.85 ALDH1A1 (0.50) HTR2AKCNH2CA1CA2KMT2A
SCHEMBL6553232 0.76 HTR2A (0.51) HTR2AKCNH2NAMPTCYP11B1CYP11B2
SCHEMBL6540607 0.75 KDM4E (0.43) KDM4EF13A1CYP11B1CYP11B2PLAAT3
SCHEMBL1437502 0.75 KDM4E (0.69) KDM4EF13A1PLAAT3PLAAT5PLAAT2
SCHEMBL6552837 0.72 CA2 (0.48) HTR2AKCNH2CA1CA2CA12
SCHEMBL4440918 0.70 NPC1 (0.58) KDM4ENAMPTKMT2AALDH1A1
SCHEMBL3159145 0.69 HTR2A (1.00) HTR2AKCNH2KDM4ENAMPTCYP11B1
SCHEMBL17806453 0.68 CA1 (0.71) CA1CA2CA12CA9ALDH1A1
SCHEMBL6541334 0.68 ALDH1A1 (0.57) HTR2AKCNH2ALDH1A1
SCHEMBL2846480 0.67 HPGDS (0.52) CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 US 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 HTR2A 518/4885KCNH2 211/4885KDM4E 2107/4885

“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.