SCHEMBL6540565

SCHEMBL6540565

O=S(=O)(c1ccc(CCNCc2ccccc2)cc1)c1ccccc1Oc1ccc(F)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.64
EPHX2 P34913 2/20 0.64
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
CA12 O43570 4/20 0.54
CA1 P00915 4/20 0.54
CA2 P00918 4/20 0.54
CA4 P22748 3/20 0.54
CA9 Q16790 3/20 0.52
OPRM1 P35372 2/20 0.49
OPRD1 P41143 2/20 0.49
OPRK1 P41145 2/20 0.49
SGMS1 Q86VZ5 1/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
TAAR1 Q96RJ0 1/20 0.47
BCHE P06276 1/20 0.47
NAMPT P43490 1/20 0.47
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 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
SCHEMBL6540074 0.90 LTA4H (0.76) LTA4HEPHX2KDM4EALDH1A1CA12
SCHEMBL6541075 0.83 LTA4H (0.68) LTA4HEPHX2KDM4EALDH1A1CA12
SCHEMBL6540465 0.82 HTR6 (0.58) KDM4EALDH1A1CA12CA1CA2
SCHEMBL8810102 0.82 LTA4H (0.94) LTA4HEPHX2KDM4EALDH1A1CA12
SCHEMBL6541509 0.79 CA1 (0.53) KDM4EALDH1A1CA12CA1CA2
SCHEMBL6554088 0.79 CA1 (0.53) KDM4EALDH1A1CA12CA1CA2
SCHEMBL6540868 0.78 LPAR1 (0.55) CA12CA1CA2CA4
SCHEMBL6541122 0.77 CA1 (0.68) KDM4EALDH1A1CA12CA1CA2
SCHEMBL6554086 0.77 CA1 (0.51) KDM4EALDH1A1CA12CA1CA2
SCHEMBL10399489 0.76 KDM4E (0.84) LTA4HEPHX2KDM4EALDH1A1CA12

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 LTA4H 2464/4885EPHX2 958/4885KDM4E 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.