SCHEMBL6798547

SCHEMBL6798547

COc1ccccc1S(=O)(=O)c1ccc(C[C@@H](C)NCc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.56
SIGMAR1 Q99720 3/20 0.55
ADRA1D P25100 4/20 0.48
ADRA1A P35348 4/20 0.48
ADRA1B P35368 4/20 0.48
NAMPT P43490 2/20 0.46
ABCC9 O60706 1/20 0.45
ABCC8 Q09428 1/20 0.45
KCNJ11 Q14654 1/20 0.45
KCNJ8 Q15842 1/20 0.45
GAA P10253 1/20 0.45
ATM Q13315 1/20 0.45
OPRM1 P35372 2/20 0.44
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
DRD2 P14416 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 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
SCHEMBL6683425 0.84 SIGMAR1 (0.59) SIGMAR1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6539539 0.84 SIGMAR1 (0.59) SIGMAR1ALDH1A1
SCHEMBL6805822 0.80 HTR6 (0.60) HTR6SIGMAR1NAMPTABCC9ABCC8
SCHEMBL3937930 0.79 ADRA1D (0.69) SIGMAR1ADRA1DADRA1AADRA1BGAA
SCHEMBL3937924 0.79 ADRA1D (0.69) SIGMAR1ADRA1DADRA1AADRA1BGAA
SCHEMBL6540465 0.78 HTR6 (0.58) HTR6NAMPTGAAATMSMN1; SMN2
Hydrochloric Acid SCHEMBL3937130 0.78 ADRA1D (0.68) SIGMAR1ADRA1DADRA1AADRA1BGAA
SCHEMBL3346880 0.76 SIGMAR1 (0.62) SIGMAR1ALDH1A1
SCHEMBL3341840 0.76 SIGMAR1 (0.62) SIGMAR1ALDH1A1
SCHEMBL3341844 0.76 SIGMAR1 (0.62) SIGMAR1ALDH1A1

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-20040106653-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-03 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-20040106653-A1 Aminoalcohol derivatives FANCD2, FANCI, HRH2 HTR6 689/4885SIGMAR1 1222/4885ADRA1D 81/4885

“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.