SCHEMBL6540959

SCHEMBL6540959

C[C@@H](N)Cc1ccc(S(=O)(=O)c2ccc(OCC(=O)O)c(Cl)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.48
TSHR P16473 1/20 0.47
PTGDR2 Q9Y5Y4 8/20 0.47
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 3/20 0.46
PTPN1 P18031 1/20 0.44
ADRB3 P13945 4/20 0.43
LMNA P02545 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
SCHEMBL6540961 0.87 APEX1 (0.49) PTGDR2ALDH1A1PTPN1
SCHEMBL6540375 0.86 PTPN1 (0.45) PTGDR2ALDH1A1PTPN1
SCHEMBL6554093 0.84 PNMT (0.43) ALDH1A1
SCHEMBL6540527 0.82 TDP1 (0.51) TDP1TSHRPTGDR2CYP2C19ALDH1A1
SCHEMBL6554091 0.82 PNMT (0.39) ALDH1A1
SCHEMBL6539185 0.82 ALDH1A1 (0.68) TSHRCYP2C19ALDH1A1ADRB3LMNA
SCHEMBL6539930 0.81 PTPN1 (0.45) TDP1TSHRPTGDR2CYP2C19ALDH1A1
SCHEMBL6540974 0.81 ALDH1A1 (0.52) ALDH1A1LMNA
SCHEMBL6540950 0.79 ADRB3 (0.70) CYP2C19ADRB3
SCHEMBL6540955 0.79 ADRB3 (0.70) CYP2C19ADRB3

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 1972/4885TSHR 3667/4885PTGDR2 300/4885

“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.