SCHEMBL6541135

SCHEMBL6541135

COc1ccc(S(=O)(=O)c2ccc(CCNC(=O)C(F)(F)F)cc2)cc1O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
NLRP3 Q96P20 3/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
USP2 O75604 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
LMNA P02545 1/20 0.47
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL6540879 0.91 USP2 (0.47) TSHRNLRP3CA1CA2USP2
SCHEMBL6539542 0.89 TSHR (0.47) TSHRNLRP3CA1CA2USP2
SCHEMBL6544777 0.89 NAMPT (0.48) TSHRNLRP3CA1CA2USP2
SCHEMBL6541141 0.88 NLRP3 (0.49) TSHRNLRP3ALDH1A1
SCHEMBL6677005 0.86 TSHR (0.47) TSHRNLRP3CA1CA2USP2
SCHEMBL6540877 0.86 CA1 (0.50) CA1CA2CA7CA9CA14
SCHEMBL6540929 0.85 TSHR (0.47) TSHRNLRP3CA1CA2USP2
SCHEMBL6540091 0.85 TSHR (0.47) TSHRNLRP3CA1CA2USP2
SCHEMBL6810067 0.85 HSD17B10 (0.46) TSHRNLRP3CA1CA2USP2
SCHEMBL6541781 0.84 POLB (0.48) CA1CA2CA7CA9MAOA

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 TSHR 3667/4885NLRP3 4535/4885CA1 4181/4885

“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.