SCHEMBL6540947

SCHEMBL6540947

CC(C)(N)Cc1ccc(S(=O)(=O)c2ccc(OCC(=O)O)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.68
SMN1; SMN2 Q16637 1/20 0.50
GAA P10253 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TBXA2R P21731 1/20 0.45
TBXAS1 P24557 1/20 0.45
GHSR Q92847 3/20 0.44
EPHX2 P34913 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
ELANE P08246 1/20 0.43
ALOX15 P16050 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PTPN1 P18031 2/20 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
SCHEMBL5831376 0.90 SMN1; SMN2 (0.60) ALDH1A1SMN1; SMN2TBXAS1EPHX2NR1H4
SCHEMBL10339161 0.82 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2GAANPSR1TBXA2R
SCHEMBL6554130 0.81 POLB (0.66) GHSRELANELMNAKMT2A
SCHEMBL6541466 0.80 PKM (0.61) ALDH1A1SMN1; SMN2GAA
SCHEMBL6539832 0.79 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2GAANPSR1TBXA2R
SCHEMBL6540943 0.79 ALDH1A1 (0.73) ALDH1A1GAANPSR1TBXA2RTBXAS1
SCHEMBL6554126 0.78 POLB (0.46) ALDH1A1GHSRELANE
SCHEMBL6539185 0.78 ALDH1A1 (0.68) ALDH1A1GAANPSR1TBXA2RTBXAS1
SCHEMBL14498733 0.78 SMN1; SMN2 (0.64) ALDH1A1SMN1; SMN2TBXAS1EPHX2NR1H4
SCHEMBL6001984 0.76 ALDH1A1 (0.86) ALDH1A1SMN1; SMN2GAANPSR1ELANE

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 188/4885SMN1; SMN2 2146/4885GAA 3888/4885

“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.