SCHEMBL6693485

SCHEMBL6693485

COC(=O)c1cc(S(=O)(=O)c2ccc(CCNC(=O)OC(C)(C)C)cc2)ccc1OCCO

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA2 P00918 12/20 0.47
CA1 P00915 9/20 0.47
CA12 O43570 5/20 0.42
CA9 Q16790 5/20 0.42
NLRP3 Q96P20 3/20 0.38
NAMPT P43490 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL6679273 0.87 CA2 (0.46) CA2CA1NAMPT
SCHEMBL6676358 0.85 CA2 (0.44) CA2CA1CA12CA9
SCHEMBL6676099 0.84 CA2 (0.54) CA2CA1CA12CA9NAMPT
SCHEMBL6677299 0.82 HTR6 (0.43) CA2CA1CA12CA9NLRP3
SCHEMBL6678702 0.79 CA2 (0.50) CA2CA1CA12CA9NAMPT
SCHEMBL26964370 0.74 CA1 (0.56) CA2CA1CA12CA9NAMPT
SCHEMBL6677134 0.74 ADRB3 (0.56)
SCHEMBL6805008 0.74 ADRB3 (0.56)
SCHEMBL17992559 0.73 CA12 (0.46) CA2CA1CA12CA9
SCHEMBL30660746 0.72 IDO1 (0.50) CA2CA1CA12CA9

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 2 patents. 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
WO-2004045610-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-06-03 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-20040106653-A1 Aminoalcohol derivatives FANCD2, FANCI, HRH2 CA2 696/4885CA1 2450/4885CA12 1959/4885

“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.