SCHEMBL17011237

SCHEMBL17011237

C/N=N/c1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.64
ALDH1A1 P00352 1/20 0.64
CYP3A4 P08684 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
TSHR P16473 2/20 0.63
KDR P35968 1/20 0.61
KMT2A Q03164 4/20 0.57
MEN1 O00255 2/20 0.57
POLB P06746 1/20 0.57
HSD17B10 Q99714 1/20 0.57
AMY1A P0DUB6 1/20 0.57
LMNA P02545 1/20 0.54
PKM P14618 2/20 0.53
RXFP1 Q9HBX9 2/20 0.53
KDM4E B2RXH2 2/20 0.51
MAPT P10636 1/20 0.51
ADRA2B P18089 1/20 0.51

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
SCHEMBL14524469 1.00 GAA (0.64) GAAALDH1A1CYP3A4SMN1; SMN2TDP1
SCHEMBL13060910 0.86 GAA (0.61) GAAALDH1A1CYP3A4SMN1; SMN2TDP1
SCHEMBL13006831 0.85 GAA (0.59) GAAALDH1A1CYP3A4SMN1; SMN2TDP1
SCHEMBL12903624 0.81 GAA (0.62) GAAALDH1A1CYP3A4SMN1; SMN2TDP1
SCHEMBL12903578 0.81 SMN1; SMN2 (0.76) GAAALDH1A1CYP3A4SMN1; SMN2TDP1
Sulfamethazine SCHEMBL151305 0.78 ALDH1A1 (1.00) GAAALDH1A1CYP3A4SMN1; SMN2TDP1
Sulfamethazine SCHEMBL17256221 0.78 ALDH1A1 (1.00) GAAALDH1A1CYP3A4SMN1; SMN2TDP1
SCHEMBL9201996 0.78 GAA (0.71) GAAALDH1A1CYP3A4SMN1; SMN2TDP1
Sulfamethazine SCHEMBL29918086 0.78 ALDH1A1 (1.00) GAAALDH1A1CYP3A4SMN1; SMN2TDP1
SCHEMBL18292531 0.78 GAA (0.71) GAAALDH1A1CYP3A4SMN1; SMN2TDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160058776-A1 ACTIVE AGENTS AND THEIR OLIGOMERS AND POLYMERS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2016-03-03 US disclosed
US-9108070-B2 Active agents and their oligomers and polymers POLYMERIX CORPORATION (US) 2015-08-18 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-20160058776-A1 ACTIVE AGENTS AND THEIR OLIGOMERS AND POLYMERS ALG1, DDOST, IDUA GAA 12/4885ALDH1A1 2906/4885CYP3A4 4554/4885

“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.