SCHEMBL6540931

SCHEMBL6540931

COc1ccc(S(=O)(=O)c2ccc(C[C@H]3COC(C)(C)N3C(=O)O)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.44
GAA P10253 1/20 0.41
NAMPT P43490 3/20 0.40
CHRM2 P08172 2/20 0.40
CCR5 P51681 1/20 0.40
ALDH1A1 P00352 2/20 0.40
TP53 P04637 1/20 0.40
MMP12 P39900 2/20 0.39
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
MMP9 P14780 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
CACNA1G O43497 1/20 0.38
GLA P06280 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MMP2 P08253 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 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
SCHEMBL6540934 1.00 PKM (0.44) PKMGAANAMPTCHRM2CCR5
SCHEMBL6541124 0.89 NAMPT (0.42) NAMPTALDH1A1
SCHEMBL6541119 0.89 NAMPT (0.42) NAMPTALDH1A1
SCHEMBL6539664 0.87 PTGIR (0.41) ALDH1A1SMN1; SMN2CACNA1GGLANPSR1
SCHEMBL6539667 0.87 PTGIR (0.41) ALDH1A1SMN1; SMN2CACNA1GGLANPSR1
SCHEMBL6540189 0.86 CCR3 (0.37) NAMPTALDH1A1TP53CACNA1GEGFR
SCHEMBL6540875 0.82 PPARA (0.39) ALDH1A1MMP9SMN1; SMN2
SCHEMBL6541597 0.80 KMT2A (0.38) PKMALDH1A1SMN1; SMN2MAPK1MEN1
SCHEMBL6541438 0.80 CAPN1 (0.38) PKMALDH1A1SMN1; SMN2CACNA1GKMT2A
SCHEMBL6541442 0.80 CAPN1 (0.38) PKMALDH1A1SMN1; SMN2CACNA1GKMT2A

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 PKM 1997/4885GAA 3888/4885NAMPT 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.