SCHEMBL6540576

SCHEMBL6540576

COc1c(C)ccc(S(=O)(=O)c2ccc(CCNC(=O)C(F)(F)F)cc2)c1C

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.41
CA1 P00915 5/20 0.41
CA2 P00918 5/20 0.41
LMNA P02545 1/20 0.41
CNR1 P21554 1/20 0.39
ALDH1A1 P00352 4/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39

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
SCHEMBL6540265 0.84 NAMPT (0.46) USP2CA1CA2LMNAALDH1A1
SCHEMBL6539542 0.78 TSHR (0.47) USP2CA1CA2LMNAALDH1A1
SCHEMBL6540073 0.77 HTR6 (0.48) CA1CA2ALDH1A1CA12CA9
SCHEMBL6541026 0.76 CA1 (0.52) CA1CA2ALDH1A1CA12CA9
SCHEMBL6540407 0.74 CA1 (0.47) CA1CA2ALDH1A1CA12CA9
SCHEMBL6541135 0.74 TSHR (0.50) USP2CA1CA2LMNAALDH1A1
SCHEMBL6540879 0.74 USP2 (0.47) USP2CA1CA2LMNAALDH1A1
SCHEMBL6544777 0.74 NAMPT (0.48) USP2CA1CA2CA9
SCHEMBL6541141 0.73 NLRP3 (0.49) ALDH1A1
SCHEMBL6540502 0.73 ABCC9 (0.54) ALDH1A1

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 USP2 2077/4885CA1 4181/4885CA2 2242/4885

“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.