SCHEMBL5069696

SCHEMBL5069696

O=C1Nc2ccccc2S(=O)(=O)N2CCC[C@@H]12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
KDM4E B2RXH2 4/20 0.54
MAPT P10636 4/20 0.54
GAA P10253 3/20 0.54
ABCC8 Q09428 1/20 0.42
KCNJ11 Q14654 1/20 0.42
PLCG1 P19174 1/20 0.40
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
NOX1 Q9Y5S8 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALOX15 P16050 2/20 0.38
HSD17B10 Q99714 2/20 0.38
THRB P10828 1/20 0.36

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
SCHEMBL19984542 0.81 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTGAAKMT2A
SCHEMBL19984544 0.78 HSD17B10 (0.47) ALDH1A1KDM4EMAPTGAAKMT2A
SCHEMBL19984618 0.78 KMT2A (0.39) ALDH1A1KDM4EMAPTGAAKMT2A
SCHEMBL19984543 0.76 ALOX15 (0.64) ALDH1A1KDM4EMAPTGAAKMT2A
SCHEMBL18221852 0.75 CHRNA7 (0.40) KMT2ATSHR
SCHEMBL5624695 0.75 GAA (0.42) ALDH1A1KDM4EMAPTGAAABCC8
SCHEMBL7978678 0.72 GAA (0.50) ALDH1A1KDM4EMAPTGAAABCC8
SCHEMBL7985303 0.72 GAA (0.50) ALDH1A1KDM4EMAPTGAAABCC8
SCHEMBL19984555 0.72 ALOX15 (0.60) ALDH1A1KDM4EMAPTGAAKMT2A
SCHEMBL7981536 0.70 ALDH1A1 (1.00) ALDH1A1KDM4EMAPTGAAKMT2A

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-20080064643-A1 Myd88 Homodimerization Inhibitors SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-03-13 US disclosed
US-20080064643-A1 Myd88 Homodimerization Inhibitors SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-03-13 US disclosed
US-20080064643-A1 Myd88 Homodimerization Inhibitors SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-03-13 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-20080064643-A1 Myd88 Homodimerization Inhibitors MYD88, TLR4, TLR6 ALDH1A1 4229/4885KDM4E 2996/4885MAPT 4322/4885

“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.