SCHEMBL6540808

SCHEMBL6540808

COc1cccc(S(=O)(=O)c2ccc(CCN(Cc3ccccc3)CC(O)COc3ccccc3)cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
TSHR P16473 1/20 0.61
MAPT P10636 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
KCNH2 Q12809 2/20 0.55
POLB P06746 2/20 0.51
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
TAS2R14 Q9NYV8 1/20 0.47

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
SCHEMBL6540800 1.00 ALDH1A1 (0.61) ALDH1A1TSHRMAPTCYP1A2CYP2D6
SCHEMBL6539551 0.95 ALDH1A1 (0.55) ALDH1A1TSHRMAPTCYP1A2CYP2D6
SCHEMBL6539541 0.95 ALDH1A1 (0.55) ALDH1A1TSHRMAPTCYP1A2CYP2D6
SCHEMBL6539973 0.93 ALDH1A1 (0.58) ALDH1A1TSHRMAPTCYP1A2CYP2D6
SCHEMBL6540485 0.90 ALDH1A1 (0.55) ALDH1A1TSHRMAPTCYP1A2CYP2D6
SCHEMBL6540945 0.90 ALDH1A1 (0.55) ALDH1A1TSHRMAPTCYP1A2CYP2D6
SCHEMBL6540390 0.87 ALDH1A1 (0.58) ALDH1A1TSHRMAPTCYP1A2CYP2D6
SCHEMBL6540397 0.87 ALDH1A1 (0.58) ALDH1A1TSHRMAPTCYP1A2CYP2D6
SCHEMBL6540926 0.84 ALDH1A1 (0.53) ALDH1A1TSHRMAPTCYP1A2CYP2D6
SCHEMBL6539497 0.82 TAS2R14 (0.44) ALDH1A1TSHRKCNH2TAS2R14

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 ALDH1A1 188/4885TSHR 3667/4885MAPT 4502/4885

“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.