SCHEMBL6540194

SCHEMBL6540194

COc1cccc(S(=O)(=O)c2cccc(CCNCc3ccccc3)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.61
KDM4E B2RXH2 3/20 0.57
ALDH1A1 P00352 2/20 0.57
NPC1 O15118 1/20 0.57
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
ATM Q13315 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
AKR1C3 P42330 1/20 0.51
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA4 P22748 2/20 0.50
CA9 Q16790 2/20 0.50
HTR2A P28223 1/20 0.49
CHRM2 P08172 2/20 0.49
CHRM1 P11229 1/20 0.49
CHRM3 P20309 1/20 0.49
TAS2R14 Q9NYV8 1/20 0.48
HTR6 P50406 2/20 0.48

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
SCHEMBL6540109 0.93 BCHE (0.59) BCHEKDM4EALDH1A1NPC1MEN1
SCHEMBL6540047 0.91 MEN1 (0.60) BCHEKDM4EALDH1A1NPC1MEN1
SCHEMBL6676685 0.86 CHRM2 (0.51) BCHEKDM4EALDH1A1NPC1MEN1
SCHEMBL29194688 0.85 BCHE (0.80) BCHEKDM4EALDH1A1NPC1MEN1
SCHEMBL6540208 0.81 MEN1 (0.73) BCHEALDH1A1MEN1KMT2AATM
SCHEMBL6539919 0.81 HTR6 (0.51) BCHEKDM4EALDH1A1CA12CA1
SCHEMBL6541483 0.80 CA1 (0.56) BCHEKDM4EALDH1A1CA12CA1
SCHEMBL8496610 0.79 BCHE (0.79) BCHEKDM4EALDH1A1NPC1MEN1
SCHEMBL4671559 0.79 AKR1C3 (0.71) ALDH1A1AKR1C3CHRM2CHRM1CHRM3
SCHEMBL6540478 0.79 TAAR1 (0.69) AKR1C3CA1CA2CA9CHRM2

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 BCHE 2596/4885KDM4E 2107/4885ALDH1A1 188/4885

“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.