SCHEMBL6540841

SCHEMBL6540841

CCOc1ccc(S(=O)(=O)c2ccc(CCN(Cc3ccccc3)C[C@H](O)c3cccc(Cl)c3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.47
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ADRB3 P13945 8/20 0.42
ADRB1 P08588 6/20 0.42
ADRB2 P07550 2/20 0.42
CNR2 P34972 1/20 0.42
BCHE P06276 1/20 0.41
THRB P10828 1/20 0.41
ALOX15 P16050 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40

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
SCHEMBL6541525 0.94 KCNH2 (0.41) KCNH2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6540725 0.90 ADRB3 (0.53) KCNH2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6540723 0.90 ADRB3 (0.53) KCNH2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6540720 0.90 ADRB3 (0.53) KCNH2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6541801 0.89 KCNH2 (0.43) KCNH2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6540893 0.89 KCNH2 (0.43) KCNH2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6552642 0.89 KCNH2 (0.42) KCNH2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6553145 0.89 KCNH2 (0.42) KCNH2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6552641 0.88 KCNH2 (0.42) KCNH2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6540284 0.87 TP53 (0.52) CYP1A2CYP2D6CYP2C9CYP2C19ALDH1A1

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 KCNH2 211/4885CYP1A2 1436/4885CYP2D6 2920/4885

“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.