SCHEMBL6541141

SCHEMBL6541141

COc1ccc(S(=O)(=O)c2ccc(CCNC(=O)C(F)(F)F)cc2)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 3/20 0.49
ALDH1A1 P00352 2/20 0.48
NAMPT P43490 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL6680430 0.94 ALK (0.47) NLRP3NAMPTKMT2A
SCHEMBL6544777 0.88 NAMPT (0.48) NLRP3NAMPTTSHR
SCHEMBL6541135 0.88 TSHR (0.50) NLRP3ALDH1A1TSHR
SCHEMBL6539542 0.88 TSHR (0.47) NLRP3ALDH1A1TSHR
SCHEMBL6541199 0.87 CA1 (0.40) NLRP3ALDH1A1
SCHEMBL6541275 0.86 PTPN1 (0.47) ALDH1A1KMT2ATSHR
SCHEMBL6540879 0.86 USP2 (0.47) NLRP3ALDH1A1TSHR
SCHEMBL6677005 0.85 TSHR (0.47) NLRP3ALDH1A1MEN1KMT2ATSHR
SCHEMBL6540929 0.84 TSHR (0.47) NLRP3ALDH1A1MEN1KMT2ATSHR
SCHEMBL6810067 0.84 HSD17B10 (0.46) NLRP3ALDH1A1MEN1KMT2ATSHR

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 NLRP3 4535/4885ALDH1A1 188/4885NAMPT 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.