SCHEMBL6540549

SCHEMBL6540549

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

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 10/20 0.48
CA2 P00918 10/20 0.48
ESRRG P62508 1/20 0.47
CA9 Q16790 5/20 0.46
CA12 O43570 3/20 0.43
MIF P14174 1/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
STS P08842 1/20 0.41

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
SCHEMBL6540877 0.90 CA1 (0.50) CA1CA2CA9CA12CA7
SCHEMBL6540276 0.87 CA1 (0.55) CA1CA2CA9CA12CA7
SCHEMBL6540407 0.87 CA1 (0.47) CA1CA2ESRRGCA9CA12
SCHEMBL6540879 0.84 USP2 (0.47) CA1CA2CA9CA7CA14
SCHEMBL6801180 0.84 CA1 (0.45) CA1CA2CA9CA12CA7
SCHEMBL6544777 0.84 NAMPT (0.48) CA1CA2CA9CA7CA14
SCHEMBL6806399 0.83 CA2 (0.43) CA1CA2CA9CA12CA7
SCHEMBL6540531 0.82 CA1 (0.41) CA1CA2CA9CA12STS
SCHEMBL6677713 0.82 CA1 (0.43) CA1CA2CA9CA12CA7
SCHEMBL6541135 0.81 TSHR (0.50) CA1CA2CA9CA7CA14

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 2242/4885ESRRG 2943/4885

“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.