SCHEMBL6540455

SCHEMBL6540455

COc1ccc(S(=O)(=O)c2ccc(CCNC(=O)O)cn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
POLB P06746 2/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
HTR2A P28223 1/20 0.48
KCNH2 Q12809 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KMT2A Q03164 2/20 0.47
GLA P06280 1/20 0.47
LMNA P02545 1/20 0.47
PLAAT3 P53816 1/20 0.46
PLAAT5 Q96KN8 1/20 0.46
PLAAT2 Q9NWW9 1/20 0.46
PLAAT4 Q9UL19 1/20 0.46
PTPN1 P18031 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
SCHEMBL6540434 0.85 HTR2A (0.52) ALDH1A1CA12CA1CA2CA9
SCHEMBL6540742 0.80 HTR2A (0.55) ALDH1A1POLBCA12CA1CA2
SCHEMBL6552886 0.79 HTR2A (0.48) ALDH1A1POLBCA12CA1CA2
SCHEMBL4583404 0.78 SMN1; SMN2 (0.75) ALDH1A1SMN1; SMN2KMT2AGLALMNA
SCHEMBL6552837 0.77 CA2 (0.48) ALDH1A1POLBCA12CA1CA2
SCHEMBL6553077 0.74 CA2 (0.46) CA12CA1CA2CA9HTR2A
SCHEMBL249713 0.74 SMN1; SMN2 (0.69) ALDH1A1POLBSMN1; SMN2KMT2AGLA
SCHEMBL6541334 0.71 ALDH1A1 (0.57) ALDH1A1HTR2AKCNH2PTPN1
SCHEMBL6554319 0.71 HTR2A (0.49) ALDH1A1POLBCA12CA1CA2
SCHEMBL11163530 0.70 HTT (0.65) ALDH1A1POLBKMT2A

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 188/4885POLB 1231/4885CA12 4283/4885

“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.