SCHEMBL6541199

SCHEMBL6541199

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
NLRP3 Q96P20 3/20 0.39
STS P08842 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
INSR P06213 1/20 0.38
ALK Q9UM73 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
SCHEMBL6682476 0.94 ALK (0.39) CA1CA2CA7CA9ALDH1A1
SCHEMBL6540531 0.88 CA1 (0.41) CA1CA2CA9STS
SCHEMBL6541242 0.88 CA1 (0.40) CA1CA2CA7CA9NLRP3
SCHEMBL6541141 0.87 NLRP3 (0.49) NLRP3ALDH1A1
SCHEMBL6540091 0.87 TSHR (0.47) CA1CA2CA7CA9NLRP3
SCHEMBL6541275 0.87 PTPN1 (0.47) ALDH1A1CYP1A2CYP3A4GAACYP2D6
SCHEMBL6540929 0.87 TSHR (0.47) CA1CA2CA7CA9NLRP3
SCHEMBL6805239 0.83 TSHR (0.38) CA1CA2CA7CA9NLRP3
SCHEMBL6679678 0.83 POLB (0.43) CA1CA2CA7GAA
SCHEMBL6540276 0.82 CA1 (0.55) CA1CA2CA7CA9

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 2242/4885CA7 3592/4885

“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.