SCHEMBL6540792

SCHEMBL6540792

O=C(O)N(CCc1ccc(S(=O)(=O)c2ccccc2O)cc1)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA12 O43570 15/20 0.55
CA1 P00915 15/20 0.55
CA2 P00918 15/20 0.55
CA4 P22748 8/20 0.54
L3MBTL1 Q9Y468 1/20 0.50
LIMK1 P53667 1/20 0.49
LIMK2 P53671 1/20 0.49
RCE1 Q9Y256 1/20 0.49

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
SCHEMBL6798502 0.85 CA12 (0.55) CA12CA1CA2CA4L3MBTL1
SCHEMBL6540099 0.83 HTR6 (0.55) CA12CA1CA2CA4L3MBTL1
SCHEMBL6541013 0.80 CA12 (0.50) CA12CA1CA2CA4LIMK1
SCHEMBL6540370 0.79 ESR1 (0.51) CA12CA1CA2CA4LIMK1
SCHEMBL6540868 0.79 LPAR1 (0.55) CA12CA1CA2CA4
SCHEMBL14583445 0.79 HDAC3 (0.56) CA12CA1CA2CA4
SCHEMBL7228409 0.78 MEN1 (0.61) CA12CA1CA2CA4L3MBTL1
SCHEMBL28262453 0.77 CA1 (0.53) CA12CA1CA2CA4
SCHEMBL6539996 0.76 HTR6 (0.51) CA12CA1CA2CA4L3MBTL1
SCHEMBL6540096 0.76 LPAR1 (0.54) CA12CA1CA2CA4

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 CA12 4283/4885CA1 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.