SCHEMBL6540531

SCHEMBL6540531

O=C(NCCc1ccc(S(=O)(=O)c2ccc(OS(=O)(=O)C(F)(F)F)c(F)c2)cc1)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
NAMPT P43490 4/20 0.40
CA9 Q16790 2/20 0.39
STS P08842 1/20 0.39
TSHR P16473 1/20 0.37
CA12 O43570 1/20 0.36

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
SCHEMBL6541242 0.88 CA1 (0.40) CA1CA2CA9STSTSHR
SCHEMBL6541199 0.88 CA1 (0.40) CA1CA2CA9STS
SCHEMBL6540091 0.88 TSHR (0.47) CA1CA2CA9TSHR
SCHEMBL6540929 0.88 TSHR (0.47) CA1CA2CA9TSHR
SCHEMBL6544777 0.87 NAMPT (0.48) CA1CA2NAMPTCA9TSHR
SCHEMBL6805239 0.84 TSHR (0.38) CA1CA2CA9STSTSHR
SCHEMBL6679678 0.84 POLB (0.43) CA1CA2
SCHEMBL6681831 0.82 POLB (0.39) CA1CA2
SCHEMBL6682476 0.82 ALK (0.39) CA1CA2NAMPTCA9
SCHEMBL6540549 0.82 CA1 (0.48) CA1CA2CA9STSCA12

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 CA1 4181/4885CA2 2242/4885NAMPT 4409/4885

“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.