SCHEMBL4174101

SCHEMBL4174101

N#C/C(=C/c1ccc(O)c([N+](=O)[O-])c1)S(=O)(=O)Nc1ccccc1Oc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.49
KMT2A Q03164 7/20 0.49
ALDH1A1 P00352 7/20 0.49
MEN1 O00255 6/20 0.49
MAPK1 P28482 4/20 0.49
NPC1 O15118 1/20 0.49
EGFR P00533 3/20 0.48
SMN1; SMN2 Q16637 4/20 0.44
POLB P06746 3/20 0.44
HTT P42858 2/20 0.44
KDM4E B2RXH2 3/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
GAA P10253 1/20 0.41
ALPG P10696 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL4174093 1.00 MAPT (0.49) MAPTKMT2AALDH1A1MEN1MAPK1
SCHEMBL4174106 1.00 MAPT (0.49) MAPTKMT2AALDH1A1MEN1MAPK1
SCHEMBL4191840 0.79 ACLY (0.46) MAPTALDH1A1KDM4ETDP1PKM
SCHEMBL4191833 0.79 ACLY (0.46) MAPTALDH1A1KDM4ETDP1PKM
SCHEMBL4191837 0.79 ACLY (0.46) MAPTALDH1A1KDM4ETDP1PKM
SCHEMBL4170102 0.79 TSHR (0.42) MAPTKMT2AALDH1A1MEN1MAPK1
SCHEMBL4170097 0.79 TSHR (0.42) MAPTKMT2AALDH1A1MEN1MAPK1
SCHEMBL4170107 0.79 TSHR (0.42) MAPTKMT2AALDH1A1MEN1MAPK1
SCHEMBL4168132 0.78 TSHR (0.47) MAPTKMT2AALDH1A1MEN1POLB
SCHEMBL4168122 0.78 TSHR (0.47) MAPTKMT2AALDH1A1MEN1POLB

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-20090191193-A1 Aryl Vinyl Sulfides, Sulfones, Sulfoxides and Sulfonamides, Derivatives Thereof and Therapeutic Uses Thereof TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-07-30 US claimed
US-20090191193-A1 Aryl Vinyl Sulfides, Sulfones, Sulfoxides and Sulfonamides, Derivatives Thereof and Therapeutic Uses Thereof TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-07-30 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-20090191193-A1 Aryl Vinyl Sulfides, Sulfones, Sulfoxides and Sulfonamides, Derivatives Thereof and Therapeutic Uses Thereof ARSA, STS, SULT2A1 MAPT 3633/4885KMT2A 469/4885ALDH1A1 249/4885

“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.