SCHEMBL6540527

SCHEMBL6540527

NCCc1ccc(S(=O)(=O)c2ccc(OCC(=O)O)c(Cl)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.51
HTR6 P50406 2/20 0.50
TSHR P16473 1/20 0.47
ALDH1A1 P00352 1/20 0.47
PTGDR2 Q9Y5Y4 10/20 0.46
PTPN1 P18031 1/20 0.46
CYP2C19 P33261 1/20 0.46
GLA P06280 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL6541353 0.86 HTR6 (0.51) HTR6TSHRALDH1A1PTGDR2PTPN1
SCHEMBL6540045 0.85 APEX1 (0.51) HTR6ALDH1A1PTGDR2PTPN1
SCHEMBL6540959 0.82 TDP1 (0.48) TDP1TSHRALDH1A1PTGDR2PTPN1
SCHEMBL6552312 0.81 HTR6 (0.48) HTR6TSHRGLASMN1; SMN2
SCHEMBL6552306 0.81 HTR6 (0.47) HTR6TSHRALDH1A1CYP2C19GLA
SCHEMBL6540943 0.80 ALDH1A1 (0.73) HTR6TSHRALDH1A1
SCHEMBL6541275 0.80 PTPN1 (0.47) TDP1TSHRALDH1A1PTGDR2PTPN1
SCHEMBL20915127 0.79 TDP1 (0.62) TDP1TSHRPTGDR2PTPN1CYP2C19
SCHEMBL6554461 0.78 HTR6 (0.56) HTR6TSHRSMN1; SMN2
SCHEMBL6540377 0.78 ALDH1A1 (0.61) ALDH1A1PTGDR2

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-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 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-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 TDP1 1972/4885HTR6 522/4885TSHR 3667/4885

“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.