SCHEMBL6540852

SCHEMBL6540852

O=C(O)COc1ccc(S(=O)(=O)c2ccc(CCNC(=O)C(F)(F)F)c(Cl)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
PTPRC P08575 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN11 Q06124 1/20 0.42
PTPN13 Q12923 1/20 0.42
PTPN22 Q9Y2R2 1/20 0.42
MTNR1A P48039 5/20 0.42
MTNR1B P49286 2/20 0.42
TRPV1 Q8NER1 1/20 0.42
TBXA2R P21731 1/20 0.39
TBXAS1 P24557 1/20 0.39
GAA P10253 1/20 0.38
IDO1 P14902 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.38
ADAMTS4 O75173 1/20 0.38
MMP2 P08253 1/20 0.38
MMP13 P45452 1/20 0.38
MMP14 P50281 1/20 0.38
ADAMTS5 Q9UNA0 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
SCHEMBL6540614 0.86 MTNR1A (0.54) ALDH1A1MTNR1AMTNR1BTRPV1MMP2
SCHEMBL6554233 0.85 POLB (0.49) PTPRCPTPN1PTPN11PTPN13PTPN22
SCHEMBL6554230 0.83 MTNR1A (0.44) PTPRCPTPN1PTPN11PTPN13PTPN22
SCHEMBL6541275 0.82 PTPN1 (0.47) ALDH1A1PTPN1GAAPTGDR2
SCHEMBL6540377 0.80 ALDH1A1 (0.61) ALDH1A1TBXA2RTBXAS1GAAIDO1
SCHEMBL6540686 0.79 MTNR1A (0.43) ALDH1A1MTNR1AMTNR1BTRPV1
SCHEMBL6539895 0.76 KMT2A (0.49) ALDH1A1MTNR1AMTNR1BGAAMMP2
SCHEMBL6540721 0.74 ADRB3 (0.68)
SCHEMBL6540717 0.74 ADRB3 (0.68)
SCHEMBL6540191 0.73 PTPN1 (0.47) ALDH1A1PTPN1GAAPTGDR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 US 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 ALDH1A1 188/4885PTPRC 4821/4885PTPN1 4443/4885

“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.