SCHEMBL6540073

SCHEMBL6540073

COc1c(C)ccc(S(=O)(=O)c2ccc(CCN)cc2)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.48
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
F2 P00734 2/20 0.43
TMPRSS4 Q9NRS4 2/20 0.43
CYP1A2 P05177 2/20 0.43
TSHR P16473 2/20 0.43
TP53 P04637 1/20 0.43
CYP2D6 P10635 1/20 0.43
TAAR1 Q96RJ0 4/20 0.41
MAOB P27338 3/20 0.39
CYP2A6 P11509 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
SCHEMBL6540687 0.79 HTR6 (0.55) HTR6CA12CA1CA2CA4
SCHEMBL6541026 0.78 CA1 (0.52) CA12CA1CA2CA4CA9
SCHEMBL6540576 0.77 USP2 (0.41) CA12CA1CA2CA9ALDH1A1
SCHEMBL6680951 0.72 HTR6 (0.84) HTR6CA12CA1CA2CA4
SCHEMBL1251844 0.65 CA2 (0.67) HTR6CA12CA1CA2CA4
SCHEMBL6541389 0.65 PKM (0.61) HTR6CA12CA1CA2CA4
Hydrochloric Acid SCHEMBL4372140 0.64 F2 (0.66) HTR6CA12CA1CA2CA4
SCHEMBL10767902 0.64 PSIP1 (0.70) HTR6CA12CA1CA2CA4
SCHEMBL142107 0.63 CA2 (1.00) HTR6CA12CA1CA2CA4
SCHEMBL14030962 0.62 GAA (0.58) CA12CA1CA2CA6CA5A

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 HTR6 522/4885CA12 4283/4885CA1 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.