SCHEMBL6540276

SCHEMBL6540276

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

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 13/20 0.55
CA2 P00918 13/20 0.55
HSD17B2 P37059 1/20 0.47
CA9 Q16790 7/20 0.46
CA7 P43166 3/20 0.46
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA12 O43570 3/20 0.42
CA14 Q9ULX7 1/20 0.41
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
ABCB11 O95342 1/20 0.41
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL6805570 0.93 CA1 (0.47) CA1CA2HSD17B2CA9CA7
SCHEMBL6540877 0.89 CA1 (0.50) CA1CA2CA9CA7LMNA
SCHEMBL6540549 0.87 CA1 (0.48) CA1CA2CA9CA7CA12
SCHEMBL6540407 0.86 CA1 (0.47) CA1CA2CA9CA7MAPT
SCHEMBL6541141 0.84 NLRP3 (0.49)
SCHEMBL6801180 0.83 CA1 (0.45) CA1CA2CA9CA7CA12
SCHEMBL6540879 0.83 USP2 (0.47) CA1CA2CA9CA7LMNA
SCHEMBL6541199 0.82 CA1 (0.40) CA1CA2CA9CA7
SCHEMBL6806399 0.82 CA2 (0.43) CA1CA2CA9CA7LMNA
SCHEMBL6541275 0.82 PTPN1 (0.47) LMNA

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 2242/4885HSD17B2 1234/4885

“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.