SCHEMBL6540536

SCHEMBL6540536

COc1ccc(S(=O)(=O)c2ccc(CCN)c(Cl)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.53
LOX P28300 1/20 0.47
GAA P10253 1/20 0.46
HTR6 P50406 2/20 0.45
TAAR1 Q96RJ0 3/20 0.44
ADRA1A P35348 1/20 0.44
CA2 P00918 3/20 0.44
MAOB P27338 2/20 0.43
SOS1 Q07889 1/20 0.43
RAPGEF4 Q8WZA2 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40

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
SCHEMBL6554041 0.83 PKM (0.46) PKMGAAHTR6CA2SOS1
SCHEMBL6540377 0.81 ALDH1A1 (0.61) GAASOS1ALDH1A1MMP1MMP2
SCHEMBL30557833 0.80 TAAR1 (0.61) HTR6TAAR1ADRA1AMAOB
SCHEMBL10506599 0.80 TAAR1 (0.61) HTR6TAAR1ADRA1AMAOB
SCHEMBL6540614 0.76 MTNR1A (0.54) PKMALDH1A1MMP2MMP9MMP12
SCHEMBL1809416 0.74 TAAR1 (0.44) HTR6TAAR1CA2SOS1CA12
SCHEMBL835692 0.73 PKM (1.00) PKMLOXGAACA2RAPGEF4
SCHEMBL13074716 0.73 PKM (1.00) PKMLOXGAACA2RAPGEF4
SCHEMBL14486413 0.73 PKM (1.00) PKMLOXGAACA2RAPGEF4
SCHEMBL6541389 0.72 PKM (0.61) PKMLOXGAAHTR6TAAR1

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 PKM 1997/4885LOX 1814/4885GAA 3888/4885

“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.