SCHEMBL6798502

SCHEMBL6798502

O=C(O)N(CCc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA12 O43570 13/20 0.55
CA1 P00915 13/20 0.55
CA2 P00918 13/20 0.55
CA4 P22748 6/20 0.54
RCE1 Q9Y256 1/20 0.52
LIMK1 P53667 1/20 0.52
LIMK2 P53671 1/20 0.52
TAS2R14 Q9NYV8 1/20 0.51
ESR1 P03372 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL6540370 0.93 ESR1 (0.51) CA12CA1CA2CA4RCE1
SCHEMBL6540822 0.90 TAS2R14 (0.57) CA12CA1CA2CA4TAS2R14
SCHEMBL6539996 0.90 HTR6 (0.51) CA12CA1CA2CA4RCE1
SCHEMBL6541013 0.89 CA12 (0.50) CA12CA1CA2CA4RCE1
SCHEMBL6540792 0.85 CA12 (0.55) CA12CA1CA2CA4RCE1
SCHEMBL6540922 0.82 L3MBTL1 (0.48) CA12CA1CA2CA4RCE1
SCHEMBL6799685 0.82 ESR1 (0.45) CA12CA1CA2TAS2R14ESR1
SCHEMBL7228409 0.82 MEN1 (0.61) CA12CA1CA2CA4RCE1
SCHEMBL6540096 0.81 LPAR1 (0.54) CA12CA1CA2CA4
SCHEMBL14362172 0.81 DPP4 (0.54)

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-20040106653-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-03 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-20040106653-A1 Aminoalcohol derivatives FANCD2, FANCI, HRH2 CA12 1959/4885CA1 2450/4885CA2 696/4885

“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.