SCHEMBL6540943

SCHEMBL6540943

NCCc1ccc(S(=O)(=O)c2ccc(OCC(=O)O)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.73
HTR6 P50406 1/20 0.59
TBXA2R P21731 1/20 0.54
TBXAS1 P24557 1/20 0.54
GAA P10253 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
F2 P00734 2/20 0.46
TMPRSS4 Q9NRS4 2/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL4432054 0.89 ALOX15 (0.57) ALDH1A1TBXA2RTBXAS1ALOX15PPARD
SCHEMBL10339161 0.86 ALDH1A1 (1.00) ALDH1A1TBXA2RTBXAS1GAANPSR1
SCHEMBL6541334 0.86 ALDH1A1 (0.57) ALDH1A1HTR6TBXA2RTBXAS1GAA
SCHEMBL6541353 0.81 HTR6 (0.51) ALDH1A1HTR6CA12CA1CA2
SCHEMBL6540527 0.80 TDP1 (0.51) ALDH1A1HTR6TSHR
SCHEMBL6540045 0.80 APEX1 (0.51) ALDH1A1HTR6GAAPPARDPPARA
SCHEMBL6540377 0.80 ALDH1A1 (0.61) ALDH1A1TBXA2RTBXAS1GAANPSR1
SCHEMBL11332779 0.80 ALOX15 (0.53) ALDH1A1TBXA2RTBXAS1ALOX15PPARD
SCHEMBL6001984 0.80 ALDH1A1 (0.86) ALDH1A1GAANPSR1ALOX15
SCHEMBL6540947 0.79 ALDH1A1 (0.68) ALDH1A1TBXA2RTBXAS1GAANPSR1

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 ALDH1A1 188/4885HTR6 522/4885TBXA2R 220/4885

“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.