SCHEMBL6540478

SCHEMBL6540478

COc1cccc(S(=O)(=O)c2cccc(CCN)c2)c1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.69
HTR6 P50406 5/20 0.68
MAOB P27338 3/20 0.52
TAS2R14 Q9NYV8 1/20 0.48
MTNR1B P49286 1/20 0.47
AOC3 Q16853 1/20 0.47
CHRM2 P08172 3/20 0.46
CHRM1 P11229 3/20 0.46
CHRM3 P20309 3/20 0.46
ACHE P22303 1/20 0.46
AKR1C3 P42330 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45

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
SCHEMBL42400 0.82 TAAR1 (1.00) TAAR1MAOBAOC3CHRM2CHRM1
SCHEMBL3151230 0.82 MTNR1B (0.56) HTR6MTNR1BCA1CA2CA9
SCHEMBL31352975 0.82 MTNR1B (0.56) HTR6MTNR1BCA1CA2CA9
SCHEMBL6679665 0.82 HTR6 (0.51) TAAR1HTR6MAOBTAS2R14MTNR1B
Ammonia Solution, Strong SCHEMBL28996261 0.81 TAAR1 (0.96) TAAR1MAOBAOC3CHRM2CHRM1
Hydrochloric Acid SCHEMBL10917318 0.81 TAAR1 (0.96) TAAR1MAOBAOC3CHRM2CHRM1
Hydrochloric Acid SCHEMBL19950932 0.79 TAAR1 (0.93) TAAR1MAOBAOC3CHRM2CHRM1
SCHEMBL6540194 0.79 BCHE (0.61) HTR6TAS2R14CHRM2CHRM1CHRM3
SCHEMBL8865965 0.78 LMNA (0.56) HTR6MTNR1BCA1CA2CA9
SCHEMBL14282636 0.77 PGR (0.56) HTR6TAS2R14MTNR1B

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 TAAR1 201/4885HTR6 522/4885MAOB 1679/4885

“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.